4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide

C19H16F2N4O — CID 171091356

IUPAC4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2c(C)ccnc2-c2cccc(C(F)F)n2)cc(C(N)=O)n1
InChIInChI=1S/C19H16F2N4O/c1-10-6-7-23-17(13-4-3-5-14(25-13)18(20)21)16(10)12-8-11(2)24-15(9-12)19(22)26/h3-9,18H,1-2H3,(H2,22,26)
InChIKeyGRYKBDWLVZQHKP-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.86
Rot. Bonds4

About 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide

4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide (PubChem CID 171091356) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
PubChem CID171091356
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2c(C)ccnc2-c2cccc(C(F)F)n2)cc(C(N)=O)n1
InChIInChI=1S/C19H16F2N4O/c1-10-6-7-23-17(13-4-3-5-14(25-13)18(20)21)16(10)12-8-11(2)24-15(9-12)19(22)26/h3-9,18H,1-2H3,(H2,22,26)
InChIKeyGRYKBDWLVZQHKP-UHFFFAOYSA-N
XLogP3.86
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lgh-447
CID 44814409
Bupicomide
CID 31447
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-oxo-5-p-tolyl-7,8-dihydro-1,7-naphthyridine-6-carboxamide
CID 9871754
Piberaline
CID 65975
7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 56968932

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide (CID 171091356) is 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide is Cc1cc(-c2c(C)ccnc2-c2cccc(C(F)F)n2)cc(C(N)=O)n1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The InChIKey is GRYKBDWLVZQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-10-6-7-23-17(13-4-3-5-14(25-13)18(20)21)16(10)12-8-11(2)24-15(9-12)19(22)26/h3-9,18H,1-2H3,(H2,22,26).
What are the key properties of 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide?
4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)-2-pyridinyl]-4-methyl-3-pyridinyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 171091356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).