6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

C20H24N4O3 — CID 91912958

IUPAC6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2ccccn2)cn1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-8-14(13-23-18)19(25)24-17-7-4-6-16(17)20(26)22-12-10-15-5-2-3-11-21-15/h2-3,5,8-9,11,13,16-17H,4,6-7,10,12H2,1H3,(H,22,26)(H,24,25)/t16-,17+/m0/s1
InChIKeyZMXYHZXNKAMGIS-DLBZAZTESA-N
MW368.44 g/mol
LogP1.74
Rot. Bonds7

About 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 91912958) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID91912958
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2ccccn2)cn1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-8-14(13-23-18)19(25)24-17-7-4-6-16(17)20(26)22-12-10-15-5-2-3-11-21-15/h2-3,5,8-9,11,13,16-17H,4,6-7,10,12H2,1H3,(H,22,26)(H,24,25)/t16-,17+/m0/s1
InChIKeyZMXYHZXNKAMGIS-DLBZAZTESA-N
XLogP1.74
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (CID 91912958) is 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2ccccn2)cn1.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is ZMXYHZXNKAMGIS-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-9-8-14(13-23-18)19(25)24-17-7-4-6-16(17)20(26)22-12-10-15-5-2-3-11-21-15/h2-3,5,8-9,11,13,16-17H,4,6-7,10,12H2,1H3,(H,22,26)(H,24,25)/t16-,17+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,2S)-2-(2-pyridin-2-ylethylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 91912958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).