2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C28H29N5O2 — CID 169249485

IUPAC2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESC[C@@]12CCC[C@]1(C)CN(c1nc3ccccc3cc1-c1cc(=O)c3c(C(N)=O)nccc3[nH]1)CC2
InChIInChI=1S/C28H29N5O2/c1-27-9-5-10-28(27,2)16-33(13-11-27)26-18(14-17-6-3-4-7-19(17)32-26)21-15-22(34)23-20(31-21)8-12-30-24(23)25(29)35/h3-4,6-8,12,14-15H,5,9-11,13,16H2,1-2H3,(H2,29,35)(H,31,34)/t27-,28+/m0/s1
InChIKeyBVPYLAINANSCOQ-WUFINQPMSA-N
MW467.57 g/mol
LogP4.64
Rot. Bonds3

About 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249485) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169249485
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESC[C@@]12CCC[C@]1(C)CN(c1nc3ccccc3cc1-c1cc(=O)c3c(C(N)=O)nccc3[nH]1)CC2
InChIInChI=1S/C28H29N5O2/c1-27-9-5-10-28(27,2)16-33(13-11-27)26-18(14-17-6-3-4-7-19(17)32-26)21-15-22(34)23-20(31-21)8-12-30-24(23)25(29)35/h3-4,6-8,12,14-15H,5,9-11,13,16H2,1-2H3,(H2,29,35)(H,31,34)/t27-,28+/m0/s1
InChIKeyBVPYLAINANSCOQ-WUFINQPMSA-N
XLogP4.64
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide with MolForge

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Related Compounds

2-[2-(4,4-difluoroazepan-1-yl)quinolin-3-yl]-4-oxo-1H-pyrido[2,3-d]pyridazine-5-carboxamide
CID 169249741
2-[5-chloro-2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249397
2-[4-bromo-2-(4,4-difluorocyclohexyl)-5-(1-methylcyclobutyl)pyrazol-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249098
2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256277
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256572
3-bromo-2-[2-(4,4-difluorocyclohexyl)quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249609
2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256506
2-[2-methyl-4-propan-2-yl-5-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256303
2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256461
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256802
2-[3-tert-butyl-1-(4,4-difluorocyclohexyl)-4-(trifluoromethyl)pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249040
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249485) is 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is C[C@@]12CCC[C@]1(C)CN(c1nc3ccccc3cc1-c1cc(=O)c3c(C(N)=O)nccc3[nH]1)CC2.
What is the InChIKey of 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is BVPYLAINANSCOQ-WUFINQPMSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-27-9-5-10-28(27,2)16-33(13-11-27)26-18(14-17-6-3-4-7-19(17)32-26)21-15-22(34)23-20(31-21)8-12-30-24(23)25(29)35/h3-4,6-8,12,14-15H,5,9-11,13,16H2,1-2H3,(H2,29,35)(H,31,34)/t27-,28+/m0/s1.
What are the key properties of 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4aS,7aS)-4a,7a-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-2-yl]quinolin-3-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).