N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C17H21ClN4O2 — CID 2953291

IUPACN-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-11-5-6-12(9-13(11)18)19-16(24)14-10-15(23)21-17(20-14)22-7-3-2-4-8-22/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyRNDXTLBEQUDZQU-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.32
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2953291) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2953291
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-11-5-6-12(9-13(11)18)19-16(24)14-10-15(23)21-17(20-14)22-7-3-2-4-8-22/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyRNDXTLBEQUDZQU-UHFFFAOYSA-N
XLogP2.32
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952265
N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide
CID 2968567
N-cyclohexyl-2-[(4-ethylphenyl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2969992
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
CID 16033246
N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-phenylpiperidine-2-carboxamide
CID 122193183
4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]-1H-pyrimidin-6-one
CID 137175228
N-(3-chloro-4-methylphenyl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetamide
CID 4378120
N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2955954
4-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 16310726
(2S)-3-[4-[3-chloro-4-(2-methylpropyl)anilino]-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylpropanamide
CID 68019654
N-[2-[4-[3-chloro-4-(2-methylpropyl)anilino]-3-[(4-chlorophenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]ethyl]acetamide
CID 68020126
2-[1-Benzyl-2-(3-chloro-2-methylanilino)-4-oxopyrimidin-5-yl]acetamide
CID 134290326

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2953291) is N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is RNDXTLBEQUDZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-5-6-12(9-13(11)18)19-16(24)14-10-15(23)21-17(20-14)22-7-3-2-4-8-22/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2953291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).