N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide

C29H32N2O2 — CID 158108891

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide (PubChem CID 158108891) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide
• PubChem CID: 158108891
• Molecular Formula: C29H32N2O2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.25
• IUPAC Name: N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide
• SMILES: CN(C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21
• InChI: InChI=1S/C29H32N2O2/c1-31(27-16-15-26-25(27)8-5-17-30-26)29(33)23-12-9-20(10-13-23)18-21-11-14-24(19-21)28(32)22-6-3-2-4-7-22/h2-10,12-13,17,21,24,27-28,32H,11,14-16,18-19H2,1H3/t21-,24-,27?,28+/m0/s1
• InChIKey: FQEGGWDBJIRGKY-YACHVZGRSA-N
• XLogP: 5.53
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide?

The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide (CID 158108891) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide.

What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide?

The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide is CN(C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.

What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide?

The InChIKey is FQEGGWDBJIRGKY-YACHVZGRSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-31(27-16-15-26-25(27)8-5-17-30-26)29(33)23-12-9-20(10-13-23)18-21-11-14-24(19-21)28(32)22-6-3-2-4-7-22/h2-10,12-13,17,21,24,27-28,32H,11,14-16,18-19H2,1H3/t21-,24-,27?,28+/m0/s1.

What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide?

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide has a molecular weight of 440.59 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 158108891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).