N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 3221264

IUPACN-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C18H22N4O/c1-13-6-3-8-16(14(13)2)21-17(23)15-7-4-11-22(12-15)18-19-9-5-10-20-18/h3,5-6,8-10,15H,4,7,11-12H2,1-2H3,(H,21,23)
InChIKeyIVQWMMDWEUPNNW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.95
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3221264) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3221264
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C18H22N4O/c1-13-6-3-8-16(14(13)2)21-17(23)15-7-4-11-22(12-15)18-19-9-5-10-20-18/h3,5-6,8-10,15H,4,7,11-12H2,1-2H3,(H,21,23)
InChIKeyIVQWMMDWEUPNNW-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3221264) is N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3ncccn3)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is IVQWMMDWEUPNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-3-8-16(14(13)2)21-17(23)15-7-4-11-22(12-15)18-19-9-5-10-20-18/h3,5-6,8-10,15H,4,7,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3221264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).