6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C17H21N5O — CID 109341836

IUPAC6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C17H21N5O/c23-17(19-11-13-5-4-8-18-10-13)15-9-16(21-12-20-15)22-14-6-2-1-3-7-14/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,19,23)(H,20,21,22)
InChIKeyVEQNYJFEJPRVDN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.55
Rot. Bonds5

About 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109341836) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109341836
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C17H21N5O/c23-17(19-11-13-5-4-8-18-10-13)15-9-16(21-12-20-15)22-14-6-2-1-3-7-14/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,19,23)(H,20,21,22)
InChIKeyVEQNYJFEJPRVDN-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide 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

6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109349998
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
N-(1,3-benzodioxol-5-ylmethyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109349324
6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350057
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109341836) is 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is VEQNYJFEJPRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(19-11-13-5-4-8-18-10-13)15-9-16(21-12-20-15)22-14-6-2-1-3-7-14/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,19,23)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).