N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide

C23H22N2O2 — CID 166340444

IUPACN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc2c(n1)CCC2
InChIInChI=1S/C23H22N2O2/c26-22(18-10-5-2-6-11-18)21(17-8-3-1-4-9-17)25-23(27)20-15-14-16-12-7-13-19(16)24-20/h1-6,8-11,14-15,21-22,26H,7,12-13H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyVAOXBOGDUBHWQP-FCHUYYIVSA-N
MW358.44 g/mol
LogP3.78
Rot. Bonds5

About N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide

N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide (PubChem CID 166340444) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
PubChem CID166340444
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc2c(n1)CCC2
InChIInChI=1S/C23H22N2O2/c26-22(18-10-5-2-6-11-18)21(17-8-3-1-4-9-17)25-23(27)20-15-14-16-12-7-13-19(16)24-20/h1-6,8-11,14-15,21-22,26H,7,12-13H2,(H,25,27)/t21-,22+/m0/s1
InChIKeyVAOXBOGDUBHWQP-FCHUYYIVSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide with MolForge

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Related Compounds

2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
CID 171379474
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
CID 154759427
N-[1-(4-methylpyrimidin-2-yl)ethyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 138056888
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59160033
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 15007046
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)prop-2-yn-1-one
CID 130590897
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 167828106
(2R)-2-acetamido-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)propanoic acid
CID 114000104
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide (CID 166340444) is N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide is O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc2c(n1)CCC2.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?
The InChIKey is VAOXBOGDUBHWQP-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(18-10-5-2-6-11-18)21(17-8-3-1-4-9-17)25-23(27)20-15-14-16-12-7-13-19(16)24-20/h1-6,8-11,14-15,21-22,26H,7,12-13H2,(H,25,27)/t21-,22+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide?
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide is sourced from PubChem (CID 166340444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).