2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

C18H13F3N4O — CID 74246545

IUPAC2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)15-3-1-2-12(8-15)9-25-17(26)14-10-23-16(24-11-14)13-4-6-22-7-5-13/h1-8,10-11H,9H2,(H,25,26)
InChIKeySJXYUUGEMNUMHD-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.49
Rot. Bonds4

About 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 74246545) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID74246545
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)15-3-1-2-12(8-15)9-25-17(26)14-10-23-16(24-11-14)13-4-6-22-7-5-13/h1-8,10-11H,9H2,(H,25,26)
InChIKeySJXYUUGEMNUMHD-UHFFFAOYSA-N
XLogP3.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74237063
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117087550
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 74246545) is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is SJXYUUGEMNUMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)15-3-1-2-12(8-15)9-25-17(26)14-10-23-16(24-11-14)13-4-6-22-7-5-13/h1-8,10-11H,9H2,(H,25,26).
What are the key properties of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide?
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74246545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).