4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide

C20H25FN4O — CID 134359569

IUPAC4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(Nc3c(C)cncc3C)CC2)ccc1F
InChIInChI=1S/C20H25FN4O/c1-13-10-17(4-5-18(13)21)24-20(26)25-8-6-16(7-9-25)23-19-14(2)11-22-12-15(19)3/h4-5,10-12,16H,6-9H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyYYEYNUSZZCGHIU-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.25
Rot. Bonds3

About 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide

4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide (PubChem CID 134359569) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
PubChem CID134359569
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(Nc3c(C)cncc3C)CC2)ccc1F
InChIInChI=1S/C20H25FN4O/c1-13-10-17(4-5-18(13)21)24-20(26)25-8-6-16(7-9-25)23-19-14(2)11-22-12-15(19)3/h4-5,10-12,16H,6-9H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyYYEYNUSZZCGHIU-UHFFFAOYSA-N
XLogP4.25
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1-methylpiperidin-4-yl)pyridin-4-amine;N-(4-fluoro-3-methylphenyl)formamide
CID 142304522
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 62812742
N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693286
1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721839
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-(3-chloro-4-fluorophenyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068196
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide (CID 134359569) is 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(Nc3c(C)cncc3C)CC2)ccc1F.
What is the InChIKey of 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is YYEYNUSZZCGHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13-10-17(4-5-18(13)21)24-20(26)25-8-6-16(7-9-25)23-19-14(2)11-22-12-15(19)3/h4-5,10-12,16H,6-9H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide?
4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134359569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).