N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide

C21H24N2O2 — CID 110016422

IUPACN-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESO=C(C1CCCC1O)N(Cc1cccc(-c2cccnc2)c1)C1CC1
InChIInChI=1S/C21H24N2O2/c24-20-8-2-7-19(20)21(25)23(18-9-10-18)14-15-4-1-5-16(12-15)17-6-3-11-22-13-17/h1,3-6,11-13,18-20,24H,2,7-10,14H2
InChIKeyYKJXHLGKMFPZEA-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.40
Rot. Bonds5

About N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide

N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 110016422) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID110016422
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC NameN-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESO=C(C1CCCC1O)N(Cc1cccc(-c2cccnc2)c1)C1CC1
InChIInChI=1S/C21H24N2O2/c24-20-8-2-7-19(20)21(25)23(18-9-10-18)14-15-4-1-5-16(12-15)17-6-3-11-22-13-17/h1,3-6,11-13,18-20,24H,2,7-10,14H2
InChIKeyYKJXHLGKMFPZEA-UHFFFAOYSA-N
XLogP3.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 110016422) is N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide is O=C(C1CCCC1O)N(Cc1cccc(-c2cccnc2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is YKJXHLGKMFPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-8-2-7-19(20)21(25)23(18-9-10-18)14-15-4-1-5-16(12-15)17-6-3-11-22-13-17/h1,3-6,11-13,18-20,24H,2,7-10,14H2.
What are the key properties of N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide?
N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-N-[(3-pyridin-3-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).