N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide

C12H11FN4O — CID 167093374

IUPACN-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCF)c1cccnc1-c1ccncn1
InChIInChI=1S/C12H11FN4O/c13-4-7-16-12(18)9-2-1-5-15-11(9)10-3-6-14-8-17-10/h1-3,5-6,8H,4,7H2,(H,16,18)
InChIKeyXLDGQAILHXOFSL-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.24
Rot. Bonds4

About N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide

N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide (PubChem CID 167093374) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide
PubChem CID167093374
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCF)c1cccnc1-c1ccncn1
InChIInChI=1S/C12H11FN4O/c13-4-7-16-12(18)9-2-1-5-15-11(9)10-3-6-14-8-17-10/h1-3,5-6,8H,4,7H2,(H,16,18)
InChIKeyXLDGQAILHXOFSL-UHFFFAOYSA-N
XLogP1.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 58451928
3-[2-[(2-pyridin-4-ylpyridine-3-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166425025
N-(2-fluoroethyl)-4-methylpyridine-3-carboxamide
CID 89026003
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
(3R)-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155731320
N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
[4-fluoro-4-(oxan-4-ylmethyl)piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385929
1-(2-pyrimidin-4-ylpyridine-3-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carbonitrile
CID 155344042

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide (CID 167093374) is N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide is O=C(NCCF)c1cccnc1-c1ccncn1.
What is the InChIKey of N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide?
The InChIKey is XLDGQAILHXOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-4-7-16-12(18)9-2-1-5-15-11(9)10-3-6-14-8-17-10/h1-3,5-6,8H,4,7H2,(H,16,18).
What are the key properties of N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide?
N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-pyrimidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 167093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).