N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide

C19H20N4O — CID 113037041

IUPACN-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)nc1
InChIInChI=1S/C19H20N4O/c20-12-15-8-4-5-9-17(15)22-16-10-11-18(21-13-16)23-19(24)14-6-2-1-3-7-14/h4-5,8-11,13-14,22H,1-3,6-7H2,(H,21,23,24)
InChIKeyCVQSCHKJBDIPFD-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.22
Rot. Bonds4

About N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide

N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113037041) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113037041
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)nc1
InChIInChI=1S/C19H20N4O/c20-12-15-8-4-5-9-17(15)22-16-10-11-18(21-13-16)23-19(24)14-6-2-1-3-7-14/h4-5,8-11,13-14,22H,1-3,6-7H2,(H,21,23,24)
InChIKeyCVQSCHKJBDIPFD-UHFFFAOYSA-N
XLogP4.22
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
CID 113037039
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide (CID 113037041) is N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide is N#Cc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)nc1.
What is the InChIKey of N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is CVQSCHKJBDIPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-12-15-8-4-5-9-17(15)22-16-10-11-18(21-13-16)23-19(24)14-6-2-1-3-7-14/h4-5,8-11,13-14,22H,1-3,6-7H2,(H,21,23,24).
What are the key properties of N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide?
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 320.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113037041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).