N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide

C17H24N4O — CID 66505793

IUPACN-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N2CC=CCC2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O/c1-13-15(16(22)20-14-8-4-2-5-9-14)12-18-17(19-13)21-10-6-3-7-11-21/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,20,22)
InChIKeyLRVOORXKPZNEIA-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.61
Rot. Bonds3

About N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide

N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide (PubChem CID 66505793) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide
PubChem CID66505793
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N2CC=CCC2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H24N4O/c1-13-15(16(22)20-14-8-4-2-5-9-14)12-18-17(19-13)21-10-6-3-7-11-21/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,20,22)
InChIKeyLRVOORXKPZNEIA-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-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

N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
2-(1,3-benzoxazol-2-ylamino)-N-cyclohexyl-4-methylpyrimidine-5-carboxamide
CID 16584584
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide (CID 66505793) is N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide is Cc1nc(N2CC=CCC2)ncc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is LRVOORXKPZNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-15(16(22)20-14-8-4-2-5-9-14)12-18-17(19-13)21-10-6-3-7-11-21/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide?
N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).