4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide

C22H29N5O3S — CID 110084678

IUPAC4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(S(=O)(=O)N3CCCCC3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H29N5O3S/c1-17-20(22(28)25-19-10-4-2-5-11-19)15-23-21(24-17)18-9-8-14-27(16-18)31(29,30)26-12-6-3-7-13-26/h2,4-5,10-11,15,18H,3,6-9,12-14,16H2,1H3,(H,25,28)
InChIKeyKMEVKMZUKBQIRB-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide

4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide (PubChem CID 110084678) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
PubChem CID110084678
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(S(=O)(=O)N3CCCCC3)C2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H29N5O3S/c1-17-20(22(28)25-19-10-4-2-5-11-19)15-23-21(24-17)18-9-8-14-27(16-18)31(29,30)26-12-6-3-7-13-26/h2,4-5,10-11,15,18H,3,6-9,12-14,16H2,1H3,(H,25,28)
InChIKeyKMEVKMZUKBQIRB-UHFFFAOYSA-N
XLogP2.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-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-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
CID 92639790
N-benzyl-2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 95806068
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-[(3R)-1-[2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetyl]piperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 124974489
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide (CID 110084678) is 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide is Cc1nc(C2CCCN(S(=O)(=O)N3CCCCC3)C2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide?
The InChIKey is KMEVKMZUKBQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-17-20(22(28)25-19-10-4-2-5-11-19)15-23-21(24-17)18-9-8-14-27(16-18)31(29,30)26-12-6-3-7-13-26/h2,4-5,10-11,15,18H,3,6-9,12-14,16H2,1H3,(H,25,28).
What are the key properties of 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide?
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110084678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).