2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C17H19N3O2 — CID 91815462

IUPAC2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(OC2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c21-17(20-12-13-4-3-8-18-11-13)14-7-9-19-16(10-14)22-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,20,21)
InChIKeyVCXZCYIWLNXXOP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 91815462) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID91815462
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(OC2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c21-17(20-12-13-4-3-8-18-11-13)14-7-9-19-16(10-14)22-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,20,21)
InChIKeyVCXZCYIWLNXXOP-UHFFFAOYSA-N
XLogP2.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 71896039
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
CID 55842196
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
2-cyclopentyloxy-N-[3-(6-oxopyridazin-1-yl)propyl]pyridine-4-carboxamide
CID 91815497
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 91815462) is 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(OC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is VCXZCYIWLNXXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(20-12-13-4-3-8-18-11-13)14-7-9-19-16(10-14)22-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H,20,21).
What are the key properties of 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 91815462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).