N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide

C18H21N3O2 — CID 1447829

IUPACN-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-8-4-7-15(11-16)20-17-10-9-13(12-19-17)18(22)21-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyIHSDUKHNIRSNMD-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide

N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 1447829) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID1447829
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C18H21N3O2/c1-23-16-8-4-7-15(11-16)20-17-10-9-13(12-19-17)18(22)21-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3,(H,19,20)(H,21,22)
InChIKeyIHSDUKHNIRSNMD-UHFFFAOYSA-N
XLogP3.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide (CID 1447829) is N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)NC3CCCC3)cn2)c1.
What is the InChIKey of N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is IHSDUKHNIRSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-8-4-7-15(11-16)20-17-10-9-13(12-19-17)18(22)21-14-5-2-3-6-14/h4,7-12,14H,2-3,5-6H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide?
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 1447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).