tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide

C79H98ClN15O7 — CID 158105455

IUPACtert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCN(C(=O)OC(C)(C)C)C3)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCNC3)c3cnccc3n2)cc1
InChIInChI=1S/C28H35N5O3.C23H27N5O.C19H18ClN3O.C9H18N2O2/c1-6-32(7-2)26(34)20-10-8-19(9-11-20)24-16-25(22-17-29-14-12-23(22)31-24)30-21-13-15-33(18-21)27(35)36-28(3,4)5;1-3-28(4-2)23(29)17-7-5-16(6-8-17)21-13-22(26-18-9-11-24-14-18)19-15-25-12-10-20(19)27-21;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h8-12,14,16-17,21H,6-7,13,15,18H2,1-5H3,(H,30,31);5-8,10,12-13,15,18,24H,3-4,9,11,14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;7H,4-6,10H2,1-3H3
InChIKeyFPTRPDSIQZDISV-UHFFFAOYSA-N
MW1405.20 g/mol
LogP14.14
Rot. Bonds16

About tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide

tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide (PubChem CID 158105455) has the molecular formula C79H98ClN15O7 and a molecular weight of 1405.20 g/mol. Its IUPAC name is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide.

Molecular Properties

Compound Nametert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide
PubChem CID158105455
Molecular FormulaC79H98ClN15O7
Molecular Weight1405.20 g/mol
Exact Mass1403.75
IUPAC Nametert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide
SMILESCC(C)(C)OC(=O)N1CCC(N)C1.CCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCN(C(=O)OC(C)(C)C)C3)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCNC3)c3cnccc3n2)cc1
InChIInChI=1S/C28H35N5O3.C23H27N5O.C19H18ClN3O.C9H18N2O2/c1-6-32(7-2)26(34)20-10-8-19(9-11-20)24-16-25(22-17-29-14-12-23(22)31-24)30-21-13-15-33(18-21)27(35)36-28(3,4)5;1-3-28(4-2)23(29)17-7-5-16(6-8-17)21-13-22(26-18-9-11-24-14-18)19-15-25-12-10-20(19)27-21;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h8-12,14,16-17,21H,6-7,13,15,18H2,1-5H3,(H,30,31);5-8,10,12-13,15,18,24H,3-4,9,11,14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;7H,4-6,10H2,1-3H3
InChIKeyFPTRPDSIQZDISV-UHFFFAOYSA-N
XLogP14.14
TPSA259.46 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.20
LogP ≤ 514.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide with MolForge

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Related Compounds

iridium;N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide;bis(2-phenylquinoline)
CID 166593972
tert-butyl 4-[2-oxo-2-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2-piperidin-4-yl-1-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-3-(trifluoromethyl)phenyl]ethanone
CID 158693630
iridium(3-);N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide;bis(2-phenylquinoline)
CID 166513916
tert-butyl N-[[4-[3-phenyl-5-[[pyridine-4-carbonyl(pyridin-4-ylmethyl)amino]methyl]-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524924
Tert-butyl 5-[[1-[4-chloro-2-(1-methylpyrrol-3-yl)quinoline-7-carbonyl]piperidin-4-yl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 135308096
Tert-butyl 4-[2-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 135372025
Tert-butyl 4-[[2-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-1,6-naphthyridin-4-yl]amino]piperidine-1-carboxylate
CID 135372247
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
CID 135372458
Tert-butyl 3-[[2-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate
CID 142467184
Tert-butyl 3-[[2-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate
CID 142467185
Tert-butyl 4-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoyl]amino]piperidine-1-carboxylate
CID 142467193
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane
CID 142467341

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide?
The IUPAC name of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide (CID 158105455) is tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide.
What is the SMILES notation for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide?
The canonical SMILES for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide is CC(C)(C)OC(=O)N1CCC(N)C1.CCN(CC)C(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCN(C(=O)OC(C)(C)C)C3)c3cnccc3n2)cc1.CCN(CC)C(=O)c1ccc(-c2cc(NC3CCNC3)c3cnccc3n2)cc1.
What is the InChIKey of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide?
The InChIKey is FPTRPDSIQZDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C23H27N5O.C19H18ClN3O.C9H18N2O2/c1-6-32(7-2)26(34)20-10-8-19(9-11-20)24-16-25(22-17-29-14-12-23(22)31-24)30-21-13-15-33(18-21)27(35)36-28(3,4)5;1-3-28(4-2)23(29)17-7-5-16(6-8-17)21-13-22(26-18-9-11-24-14-18)19-15-25-12-10-20(19)27-21;1-3-23(4-2)19(24)14-7-5-13(6-8-14)18-11-16(20)15-12-21-10-9-17(15)22-18;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h8-12,14,16-17,21H,6-7,13,15,18H2,1-5H3,(H,30,31);5-8,10,12-13,15,18,24H,3-4,9,11,14H2,1-2H3,(H,26,27);5-12H,3-4H2,1-2H3;7H,4-6,10H2,1-3H3.
What are the key properties of tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide?
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide has a molecular weight of 1405.20 g/mol, XLogP of 14.14, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[2-[4-(diethylcarbamoyl)phenyl]-1,6-naphthyridin-4-yl]amino]pyrrolidine-1-carboxylate;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;N,N-diethyl-4-[4-(pyrrolidin-3-ylamino)-1,6-naphthyridin-2-yl]benzamide is sourced from PubChem (CID 158105455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).