6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

C30H30N4O5 — CID 145351797

IUPAC6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(NCC5(O)CCOCC5)cc4)c3)ccc12
InChIInChI=1S/C30H30N4O5/c1-31-29(36)26-4-2-3-21-17-23(9-10-25(21)26)39-24-11-14-32-27(18-24)34-28(35)20-5-7-22(8-6-20)33-19-30(37)12-15-38-16-13-30/h2-11,14,17-18,33,37H,12-13,15-16,19H2,1H3,(H,31,36)(H,32,34,35)
InChIKeyFDUATDBSUXVOBL-UHFFFAOYSA-N
MW526.59 g/mol
LogP4.59
Rot. Bonds8

About 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (PubChem CID 145351797) has the molecular formula C30H30N4O5 and a molecular weight of 526.59 g/mol. Its IUPAC name is 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
PubChem CID145351797
Molecular FormulaC30H30N4O5
Molecular Weight526.59 g/mol
Exact Mass526.22
IUPAC Name6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(NCC5(O)CCOCC5)cc4)c3)ccc12
InChIInChI=1S/C30H30N4O5/c1-31-29(36)26-4-2-3-21-17-23(9-10-25(21)26)39-24-11-14-32-27(18-24)34-28(35)20-5-7-22(8-6-20)33-19-30(37)12-15-38-16-13-30/h2-11,14,17-18,33,37H,12-13,15-16,19H2,1H3,(H,31,36)(H,32,34,35)
InChIKeyFDUATDBSUXVOBL-UHFFFAOYSA-N
XLogP4.59
TPSA121.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.59
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide with MolForge

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Related Compounds

Risimtinib
CID 145351764
Benzamide,3-(1-amino-1-methylethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-
CID 50992247
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(2S)-3-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 16665100
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-methyl-2-pyridyl)benzamide
CID 467731
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(2-pyridyl)benzamide
CID 467733
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
3-[(1S)-1-amino-2-hydroxyethyl]-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 46847263
Benzamide,3-[(dimethylamino)methyl]-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoroMethyl)-
CID 50990961
3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide
CID 51355461

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (CID 145351797) is 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(NCC5(O)CCOCC5)cc4)c3)ccc12.
What is the InChIKey of 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The InChIKey is FDUATDBSUXVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O5/c1-31-29(36)26-4-2-3-21-17-23(9-10-25(21)26)39-24-11-14-32-27(18-24)34-28(35)20-5-7-22(8-6-20)33-19-30(37)12-15-38-16-13-30/h2-11,14,17-18,33,37H,12-13,15-16,19H2,1H3,(H,31,36)(H,32,34,35).
What are the key properties of 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[4-[(4-hydroxyoxan-4-yl)methylamino]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 145351797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).