N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C24H22F3N3O — CID 67267093

IUPACN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2F)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22F3N3O/c25-19-3-1-2-16(12-19)23-7-5-17(14-28-23)24(31)29-21-8-10-30(11-9-21)15-18-4-6-20(26)13-22(18)27/h1-7,12-14,21H,8-11,15H2,(H,29,31)
InChIKeyVHDVGXKOLRSLJI-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.56
Rot. Bonds5

About N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267093) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67267093
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2F)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22F3N3O/c25-19-3-1-2-16(12-19)23-7-5-17(14-28-23)24(31)29-21-8-10-30(11-9-21)15-18-4-6-20(26)13-22(18)27/h1-7,12-14,21H,8-11,15H2,(H,29,31)
InChIKeyVHDVGXKOLRSLJI-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267267
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyridazine-3-carboxamide
CID 91187422
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]acetic acid
CID 69295626
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177
2-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]pyrazol-1-yl]butanoic acid
CID 67267508

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267093) is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2F)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is VHDVGXKOLRSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c25-19-3-1-2-16(12-19)23-7-5-17(14-28-23)24(31)29-21-8-10-30(11-9-21)15-18-4-6-20(26)13-22(18)27/h1-7,12-14,21H,8-11,15H2,(H,29,31).
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).