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

C97H110N8O5 — CID 158620515

IUPACN-(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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESCN(C(=O)c1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CN(C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CNC1CCc2ncccc21.C[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(C(=O)N(C)C3CCc4ncccc43)cc2)C1
InChIInChI=1S/C30H34N2O.2C29H32N2O2.C9H12N2/c1-21(24-7-4-3-5-8-24)26-15-12-23(20-26)19-22-10-13-25(14-11-22)30(33)32(2)29-17-16-28-27(29)9-6-18-31-28;2*1-31(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;1-10-8-4-5-9-7(8)3-2-6-11-9/h3-11,13-14,18,21,23,26,29H,12,15-17,19-20H2,1-2H3;2*2-10,12-13,17,21,24,27-28,32H,11,14-16,18-19H2,1H3;2-3,6,8,10H,4-5H2,1H3/t21-,23?,26+,29?;21?,24-,27?,28+;21-,24-,27?,28+;/m100./s1
InChIKeyHXXXULPTDAYIPS-UAHJHDDZSA-N
MW1468.00 g/mol
LogP18.96
Rot. Bonds19

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

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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (PubChem CID 158620515) has the molecular formula C97H110N8O5 and a molecular weight of 1468.00 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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound NameN-(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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
PubChem CID158620515
Molecular FormulaC97H110N8O5
Molecular Weight1468.00 g/mol
Exact Mass1466.86
IUPAC NameN-(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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESCN(C(=O)c1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CN(C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CNC1CCc2ncccc21.C[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(C(=O)N(C)C3CCc4ncccc43)cc2)C1
InChIInChI=1S/C30H34N2O.2C29H32N2O2.C9H12N2/c1-21(24-7-4-3-5-8-24)26-15-12-23(20-26)19-22-10-13-25(14-11-22)30(33)32(2)29-17-16-28-27(29)9-6-18-31-28;2*1-31(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;1-10-8-4-5-9-7(8)3-2-6-11-9/h3-11,13-14,18,21,23,26,29H,12,15-17,19-20H2,1-2H3;2*2-10,12-13,17,21,24,27-28,32H,11,14-16,18-19H2,1H3;2-3,6,8,10H,4-5H2,1H3/t21-,23?,26+,29?;21?,24-,27?,28+;21-,24-,27?,28+;/m100./s1
InChIKeyHXXXULPTDAYIPS-UAHJHDDZSA-N
XLogP18.96
TPSA164.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms110
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.00
LogP ≤ 518.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine with MolForge

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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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (CID 158620515) is 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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.
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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is CN(C(=O)c1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CN(C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)C2)cc1)C1CCc2ncccc21.CNC1CCc2ncccc21.C[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(C(=O)N(C)C3CCc4ncccc43)cc2)C1.
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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The InChIKey is HXXXULPTDAYIPS-UAHJHDDZSA-N. The full InChI is InChI=1S/C30H34N2O.2C29H32N2O2.C9H12N2/c1-21(24-7-4-3-5-8-24)26-15-12-23(20-26)19-22-10-13-25(14-11-22)30(33)32(2)29-17-16-28-27(29)9-6-18-31-28;2*1-31(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;1-10-8-4-5-9-7(8)3-2-6-11-9/h3-11,13-14,18,21,23,26,29H,12,15-17,19-20H2,1-2H3;2*2-10,12-13,17,21,24,27-28,32H,11,14-16,18-19H2,1H3;2-3,6,8,10H,4-5H2,1H3/t21-,23?,26+,29?;21?,24-,27?,28+;21-,24-,27?,28+;/m100./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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
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-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine has a molecular weight of 1468.00 g/mol, XLogP of 18.96, 19 rotatable bonds, 3 hydrogen bond donors, and 10 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;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 158620515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).