2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide

C19H22N4O3 — CID 91780687

IUPAC2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-13-20-12-16(18(25)22-13)17(24)21-11-14-5-7-15(8-6-14)19(26)23-9-3-2-4-10-23/h5-8,12H,2-4,9-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyQLTROXXZBXYSOG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 91780687) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID91780687
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-13-20-12-16(18(25)22-13)17(24)21-11-14-5-7-15(8-6-14)19(26)23-9-3-2-4-10-23/h5-8,12H,2-4,9-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyQLTROXXZBXYSOG-UHFFFAOYSA-N
XLogP1.63
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide (CID 91780687) is 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QLTROXXZBXYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-20-12-16(18(25)22-13)17(24)21-11-14-5-7-15(8-6-14)19(26)23-9-3-2-4-10-23/h5-8,12H,2-4,9-11H2,1H3,(H,21,24)(H,20,22,25).
What are the key properties of 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91780687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).