6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide

C14H13F3N4O2 — CID 166012142

IUPAC6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncncc1CNC(=O)c1cnc(C(C)(F)F)c(F)c1
InChIInChI=1S/C14H13F3N4O2/c1-14(16,17)11-10(15)3-8(5-19-11)12(22)20-6-9-4-18-7-21-13(9)23-2/h3-5,7H,6H2,1-2H3,(H,20,22)
InChIKeyKAHHZOYJULOUGH-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.06
Rot. Bonds5

About 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide

6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 166012142) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide
PubChem CID166012142
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncncc1CNC(=O)c1cnc(C(C)(F)F)c(F)c1
InChIInChI=1S/C14H13F3N4O2/c1-14(16,17)11-10(15)3-8(5-19-11)12(22)20-6-9-4-18-7-21-13(9)23-2/h3-5,7H,6H2,1-2H3,(H,20,22)
InChIKeyKAHHZOYJULOUGH-UHFFFAOYSA-N
XLogP2.06
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-Dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
CID 139594541
N-propyl-4-[[4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 86766624
US11377438, Example 2
CID 146526012
N-[(3,5-Difluorophenyl)methyl]-6-(pyrimidin-5-YL)pyridine-3-carboxamide
CID 71841603
N~3~-(2,4-Difluorobenzyl)-6-(5-pyrimidinyl)nicotinamide
CID 71841604
N-methyl-4-[[4-pyridin-4-yloxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 178301391
2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90730436
N-(6-methoxypyrimidin-4-yl)nicotinamide
CID 71795717
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-3-carboxamide
CID 75514019
2-amino-7-[4-fluoro-2-(4-methoxy-5-methylpyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16223767
2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16223773
2-amino-7-[2-(4-ethoxy-5-fluoropyrimidin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16224963

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide (CID 166012142) is 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide is COc1ncncc1CNC(=O)c1cnc(C(C)(F)F)c(F)c1.
What is the InChIKey of 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KAHHZOYJULOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-14(16,17)11-10(15)3-8(5-19-11)12(22)20-6-9-4-18-7-21-13(9)23-2/h3-5,7H,6H2,1-2H3,(H,20,22).
What are the key properties of 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide?
6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166012142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).