5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide

C69H81N11O10 — CID 158929613

IUPAC5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide
SMILESCC#Cc1cnc(NC[C@@H]2CCC(=O)N2)c2cc(OC)c(C(N)=O)cc12.COc1cc2c(N3CCC(N)CC3)cccc2cc1C(N)=O.COc1cc2c(N3CCC[C@H](O)C3)cccc2cc1C(N)=O.COc1cc2c(ccn2[C@H]2CC[C@H](C)C2)cc1C(N)=O
InChIInChI=1S/C19H20N4O3.C17H21N3O2.C17H20N2O3.C16H20N2O2/c1-3-4-11-9-21-19(22-10-12-5-6-17(24)23-12)14-8-16(26-2)15(18(20)25)7-13(11)14;1-22-16-10-13-11(9-14(16)17(19)21)3-2-4-15(13)20-7-5-12(18)6-8-20;1-22-16-9-13-11(8-14(16)17(18)21)4-2-6-15(13)19-7-3-5-12(20)10-19;1-10-3-4-12(7-10)18-6-5-11-8-13(16(17)19)15(20-2)9-14(11)18/h7-9,12H,5-6,10H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24);2-4,9-10,12H,5-8,18H2,1H3,(H2,19,21);2,4,6,8-9,12,20H,3,5,7,10H2,1H3,(H2,18,21);5-6,8-10,12H,3-4,7H2,1-2H3,(H2,17,19)/t12-;;12-;10-,12-/m0.00/s1
InChIKeyJIWPBYHEJUNALH-MWEAYAACSA-N
MW1224.47 g/mol
LogP8.30
Rot. Bonds14

About 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide

5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide (PubChem CID 158929613) has the molecular formula C69H81N11O10 and a molecular weight of 1224.47 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide
PubChem CID158929613
Molecular FormulaC69H81N11O10
Molecular Weight1224.47 g/mol
Exact Mass1223.62
IUPAC Name5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide
SMILESCC#Cc1cnc(NC[C@@H]2CCC(=O)N2)c2cc(OC)c(C(N)=O)cc12.COc1cc2c(N3CCC(N)CC3)cccc2cc1C(N)=O.COc1cc2c(N3CCC[C@H](O)C3)cccc2cc1C(N)=O.COc1cc2c(ccn2[C@H]2CC[C@H](C)C2)cc1C(N)=O
InChIInChI=1S/C19H20N4O3.C17H21N3O2.C17H20N2O3.C16H20N2O2/c1-3-4-11-9-21-19(22-10-12-5-6-17(24)23-12)14-8-16(26-2)15(18(20)25)7-13(11)14;1-22-16-10-13-11(9-14(16)17(19)21)3-2-4-15(13)20-7-5-12(18)6-8-20;1-22-16-9-13-11(8-14(16)17(18)21)4-2-6-15(13)19-7-3-5-12(20)10-19;1-10-3-4-12(7-10)18-6-5-11-8-13(16(17)19)15(20-2)9-14(11)18/h7-9,12H,5-6,10H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24);2-4,9-10,12H,5-8,18H2,1H3,(H2,19,21);2,4,6,8-9,12,20H,3,5,7,10H2,1H3,(H2,18,21);5-6,8-10,12H,3-4,7H2,1-2H3,(H2,17,19)/t12-;;12-;10-,12-/m0.00/s1
InChIKeyJIWPBYHEJUNALH-MWEAYAACSA-N
XLogP8.30
TPSA320.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.47
LogP ≤ 58.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide with MolForge

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Related Compounds

1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperazin-1-yl]-3-pyridinyl]-3-methylindole-4-carboxamide
CID 166627051
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]-N-propan-2-ylpentanamide;3-[[[2-[[1-[3-(1,1-difluoroethyl)phenyl]indol-3-yl]methyl-methylamino]-3-propan-2-yloxypropyl]-methylamino]methyl]-6,7-dimethylchromen-4-one;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 157591531
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;3-[[[2-[[1-[3-(1,1-difluoroethyl)phenyl]indol-3-yl]methyl-methylamino]-3-propan-2-yloxypropyl]-methylamino]methyl]-6,7-dimethylchromen-4-one;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 158310449
(2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-N-(3-methylbutyl)-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanamide;6,7-dimethyl-3-[[methyl-[3-methyl-2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]butyl]amino]methyl]chromen-4-one;6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]-3-propan-2-yloxypropyl]amino]methyl]chromen-4-one;3-methylbutyl (2R)-5-[(3R)-1-carbamimidoylpiperidin-3-yl]-4-oxo-2-[[4-(2-phenylethynyl)phenyl]methyl]pentanoate
CID 159801510
4-[2-[4-[[4-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]propoxy]piperidin-1-yl]methyl]cyclohexyl]ethynyl]-1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166733681
4-[2-[4-[[4-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-5-yl]propoxy]piperidin-1-yl]methyl]cyclohexyl]ethynyl]-1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166800649
6-[4-[2-[4-(3,8-Diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxyethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 172251911
N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide
CID 67823513
[9-[2-carboxy-5-[3-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indol-1-yl]propylcarbamoyl]phenyl]-6-(dimethylamino)-3H-xanthen-3-yl]-methylazanium
CID 145078777
(3R)-1-[9-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-5-yl]pyrrolidine-3-carboxylic acid
CID 156165432
5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-carbonitrile
CID 156165433
5-(2-hydroxyethylamino)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-carbonitrile
CID 156165509

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide (CID 158929613) is 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide is CC#Cc1cnc(NC[C@@H]2CCC(=O)N2)c2cc(OC)c(C(N)=O)cc12.COc1cc2c(N3CCC(N)CC3)cccc2cc1C(N)=O.COc1cc2c(N3CCC[C@H](O)C3)cccc2cc1C(N)=O.COc1cc2c(ccn2[C@H]2CC[C@H](C)C2)cc1C(N)=O.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide?
The InChIKey is JIWPBYHEJUNALH-MWEAYAACSA-N. The full InChI is InChI=1S/C19H20N4O3.C17H21N3O2.C17H20N2O3.C16H20N2O2/c1-3-4-11-9-21-19(22-10-12-5-6-17(24)23-12)14-8-16(26-2)15(18(20)25)7-13(11)14;1-22-16-10-13-11(9-14(16)17(19)21)3-2-4-15(13)20-7-5-12(18)6-8-20;1-22-16-9-13-11(8-14(16)17(18)21)4-2-6-15(13)19-7-3-5-12(20)10-19;1-10-3-4-12(7-10)18-6-5-11-8-13(16(17)19)15(20-2)9-14(11)18/h7-9,12H,5-6,10H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24);2-4,9-10,12H,5-8,18H2,1H3,(H2,19,21);2,4,6,8-9,12,20H,3,5,7,10H2,1H3,(H2,18,21);5-6,8-10,12H,3-4,7H2,1-2H3,(H2,17,19)/t12-;;12-;10-,12-/m0.00/s1.
What are the key properties of 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide?
5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide has a molecular weight of 1224.47 g/mol, XLogP of 8.30, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide is sourced from PubChem (CID 158929613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).