4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

C18H14F3N5O — CID 74244228

IUPAC4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H14F3N5O/c1-11-14(10-24-16(25-11)13-5-3-7-23-9-13)17(27)26-15(18(19,20)21)12-4-2-6-22-8-12/h2-10,15H,1H3,(H,26,27)
InChIKeyXTYMPYJKQQXUJD-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.28
Rot. Bonds4

About 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide

4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (PubChem CID 74244228) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
PubChem CID74244228
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)NC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C18H14F3N5O/c1-11-14(10-24-16(25-11)13-5-3-7-23-9-13)17(27)26-15(18(19,20)21)12-4-2-6-22-8-12/h2-10,15H,1H3,(H,26,27)
InChIKeyXTYMPYJKQQXUJD-UHFFFAOYSA-N
XLogP3.28
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74238214
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
CID 59199969
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide (CID 74244228) is 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)NC(c1cccnc1)C(F)(F)F.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is XTYMPYJKQQXUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c1-11-14(10-24-16(25-11)13-5-3-7-23-9-13)17(27)26-15(18(19,20)21)12-4-2-6-22-8-12/h2-10,15H,1H3,(H,26,27).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 74244228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).