4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide

C17H18ClN3O — CID 109204096

IUPAC4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H18ClN3O/c18-12-5-7-14(8-6-12)20-15-9-10-19-16(11-15)17(22)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20)(H,21,22)
InChIKeyIOLADTTVKUCZHJ-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide

4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide (PubChem CID 109204096) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
PubChem CID109204096
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H18ClN3O/c18-12-5-7-14(8-6-12)20-15-9-10-19-16(11-15)17(22)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20)(H,21,22)
InChIKeyIOLADTTVKUCZHJ-UHFFFAOYSA-N
XLogP4.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
6-(4-chloroanilino)-N-cyclopentylpyridazine-3-carboxamide
CID 109112372
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide?
The IUPAC name of 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide (CID 109204096) is 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide is O=C(NC1CCCC1)c1cc(Nc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide?
The InChIKey is IOLADTTVKUCZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-12-5-7-14(8-6-12)20-15-9-10-19-16(11-15)17(22)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide?
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide is sourced from PubChem (CID 109204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).