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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Related Compounds

3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
3-(3-but-3-ynyldiazirin-3-yl)-N-cyclopropyl-N-[(3-pyridin-3-ylphenyl)methyl]propanamide
CID 166409284
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]phenyl]methyl]pyridine-3-carboxamide
CID 68942481
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
CID 75439559

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).