N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

C20H23N3O2 — CID 166214456

IUPACN-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCCN2C(=O)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)22(2)20(25)18-7-3-4-13-23(18)19(24)16-6-5-12-21-14-16/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3
InChIKeyNXQOCCYLUHOAJM-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 166214456) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID166214456
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCCN2C(=O)c2cccnc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)22(2)20(25)18-7-3-4-13-23(18)19(24)16-6-5-12-21-14-16/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3
InChIKeyNXQOCCYLUHOAJM-UHFFFAOYSA-N
XLogP3.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 167991863
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
N-methyl-1-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 71998761
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (CID 166214456) is N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is Cc1ccc(N(C)C(=O)C2CCCCN2C(=O)c2cccnc2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is NXQOCCYLUHOAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-8-10-17(11-9-15)22(2)20(25)18-7-3-4-13-23(18)19(24)16-6-5-12-21-14-16/h5-6,8-12,14,18H,3-4,7,13H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 166214456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).