N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide

C25H26N4O3 — CID 134475018

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C25H26N4O3/c30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17/h3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyUOVGQCJCXFVKNH-HSZRJFAPSA-N
MW430.51 g/mol
LogP3.28
Rot. Bonds7

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 134475018) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
PubChem CID134475018
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1
InChIInChI=1S/C25H26N4O3/c30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17/h3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyUOVGQCJCXFVKNH-HSZRJFAPSA-N
XLogP3.28
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide (CID 134475018) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide is O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cn2)c1.
What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is UOVGQCJCXFVKNH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-16-23(18-4-3-5-19(14-18)24(31)28-21-6-1-2-7-21)29-25(32)22-9-8-20(15-27-22)17-10-12-26-13-11-17/h3-5,8-15,21,23,30H,1-2,6-7,16H2,(H,28,31)(H,29,32)/t23-/m1/s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 134475018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).