4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide

C18H20F2N4O2 — CID 154662447

IUPAC4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Nc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H20F2N4O2/c1-23-11-15(2-3-17(23)25)22-18(26)24-6-4-14(5-7-24)21-16-9-12(19)8-13(20)10-16/h2-3,8-11,14,21H,4-7H2,1H3,(H,22,26)
InChIKeyUSEQDHBXNDCGLM-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.77
Rot. Bonds3

About 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide

4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 154662447) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID154662447
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(Nc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H20F2N4O2/c1-23-11-15(2-3-17(23)25)22-18(26)24-6-4-14(5-7-24)21-16-9-12(19)8-13(20)10-16/h2-3,8-11,14,21H,4-7H2,1H3,(H,22,26)
InChIKeyUSEQDHBXNDCGLM-UHFFFAOYSA-N
XLogP2.77
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662314
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 159885857
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60932164
tert-butyl 4-[(1-methyl-6-oxo-3-pyridinyl)amino]azepane-1-carboxylate
CID 103981675
5-(cyclohexylamino)-1-methylpyridin-2-one
CID 50988993
1-methyl-5-[(1-propan-2-ylpiperidin-4-yl)amino]pyridin-2-one
CID 54866098
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
1-methyl-5-(piperidin-4-ylamino)pyridin-2-one
CID 61020667
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 154662447) is 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(Nc3cc(F)cc(F)c3)CC2)ccc1=O.
What is the InChIKey of 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is USEQDHBXNDCGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-23-11-15(2-3-17(23)25)22-18(26)24-6-4-14(5-7-24)21-16-9-12(19)8-13(20)10-16/h2-3,8-11,14,21H,4-7H2,1H3,(H,22,26).
What are the key properties of 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide?
4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoroanilino)-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 154662447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).