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

C25H25N3O2 — CID 167991863

IUPACN-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-27(22-14-12-20(13-15-22)19-8-3-2-4-9-19)25(30)23-11-5-6-17-28(23)24(29)21-10-7-16-26-18-21/h2-4,7-10,12-16,18,23H,5-6,11,17H2,1H3
InChIKeyIBSOXDXIDNQYAK-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.41
Rot. Bonds4

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

N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 167991863) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID167991863
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCN(C(=O)C1CCCCN1C(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-27(22-14-12-20(13-15-22)19-8-3-2-4-9-19)25(30)23-11-5-6-17-28(23)24(29)21-10-7-16-26-18-21/h2-4,7-10,12-16,18,23H,5-6,11,17H2,1H3
InChIKeyIBSOXDXIDNQYAK-UHFFFAOYSA-N
XLogP4.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456
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
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
[(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
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
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (CID 167991863) is N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is CN(C(=O)C1CCCCN1C(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is IBSOXDXIDNQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27(22-14-12-20(13-15-22)19-8-3-2-4-9-19)25(30)23-11-5-6-17-28(23)24(29)21-10-7-16-26-18-21/h2-4,7-10,12-16,18,23H,5-6,11,17H2,1H3.
What are the key properties of N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 167991863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).