(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H19N5O — CID 25352704

IUPAC(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H19N5O/c1-12-5-2-7-17-14(12)20-15(22)13-6-3-10-21(11-13)16-18-8-4-9-19-16/h2,4-5,7-9,13H,3,6,10-11H2,1H3,(H,17,20,22)/t13-/m0/s1
InChIKeyWWMCDKTTXAXKJC-ZDUSSCGKSA-N
MW297.36 g/mol
LogP2.04
Rot. Bonds3

About (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 25352704) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID25352704
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H19N5O/c1-12-5-2-7-17-14(12)20-15(22)13-6-3-10-21(11-13)16-18-8-4-9-19-16/h2,4-5,7-9,13H,3,6,10-11H2,1H3,(H,17,20,22)/t13-/m0/s1
InChIKeyWWMCDKTTXAXKJC-ZDUSSCGKSA-N
XLogP2.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56574228
N-(3-methyl-2-pyridinyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-carboxamide
CID 51101967
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 99805424

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 25352704) is (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cc1cccnc1NC(=O)[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is WWMCDKTTXAXKJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-5-2-7-17-14(12)20-15(22)13-6-3-10-21(11-13)16-18-8-4-9-19-16/h2,4-5,7-9,13H,3,6,10-11H2,1H3,(H,17,20,22)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 25352704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).