2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid

C20H24N4O3 — CID 108805793

IUPAC2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H24N4O3/c1-12-4-5-17(16(10-12)19(26)27)23-18(25)15-6-8-24(9-7-15)20-21-13(2)11-14(3)22-20/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyNQKZWPBGUGIXFH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.96
Rot. Bonds4

About 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid

2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid (PubChem CID 108805793) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
PubChem CID108805793
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H24N4O3/c1-12-4-5-17(16(10-12)19(26)27)23-18(25)15-6-8-24(9-7-15)20-21-13(2)11-14(3)22-20/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyNQKZWPBGUGIXFH-UHFFFAOYSA-N
XLogP2.96
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid with MolForge

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid (CID 108805793) is 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid?
The InChIKey is NQKZWPBGUGIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-4-5-17(16(10-12)19(26)27)23-18(25)15-6-8-24(9-7-15)20-21-13(2)11-14(3)22-20/h4-5,10-11,15H,6-9H2,1-3H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid?
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid has a molecular weight of 368.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 108805793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).