2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

C17H24N4O2 — CID 110084529

IUPAC2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)C2CCCCC2)ncc1C(N)=O
InChIInChI=1S/C17H24N4O2/c1-11-13(15(18)22)10-19-16(20-11)14-8-5-9-21(14)17(23)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H2,18,22)
InChIKeyRXSYIOFKMFJKAK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.13
Rot. Bonds3

About 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084529) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084529
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)C2CCCCC2)ncc1C(N)=O
InChIInChI=1S/C17H24N4O2/c1-11-13(15(18)22)10-19-16(20-11)14-8-5-9-21(14)17(23)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H2,18,22)
InChIKeyRXSYIOFKMFJKAK-UHFFFAOYSA-N
XLogP2.13
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-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

2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805931
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247544
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084635
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 110084529) is 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCN2C(=O)C2CCCCC2)ncc1C(N)=O.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is RXSYIOFKMFJKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-13(15(18)22)10-19-16(20-11)14-8-5-9-21(14)17(23)12-6-3-2-4-7-12/h10,12,14H,2-9H2,1H3,(H2,18,22).
What are the key properties of 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).