N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide

C18H21N3O — CID 95825774

IUPACN-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)20-18(22)17-6-2-5-16(21-17)14-4-3-11-19-12-14/h2,5-10,14,19H,3-4,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyRFIMISJHZXNXCR-AWEZNQCLSA-N
MW295.39 g/mol
LogP3.11
Rot. Bonds3

About N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide

N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 95825774) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
PubChem CID95825774
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)20-18(22)17-6-2-5-16(21-17)14-4-3-11-19-12-14/h2,5-10,14,19H,3-4,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyRFIMISJHZXNXCR-AWEZNQCLSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825901
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
CID 175662336
N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 174206691
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
CID 112707531
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide (CID 95825774) is N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc([C@H]3CCCNC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is RFIMISJHZXNXCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-7-9-15(10-8-13)20-18(22)17-6-2-5-16(21-17)14-4-3-11-19-12-14/h2,5-10,14,19H,3-4,11-12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95825774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).