N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C18H14F3N5O — CID 109259190

IUPACN-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)14-1-3-15(4-2-14)26-17-24-10-13(11-25-17)16(27)23-9-12-5-7-22-8-6-12/h1-8,10-11H,9H2,(H,23,27)(H,24,25,26)
InChIKeyRAPFLZLBROHZAR-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.56
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109259190) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109259190
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)14-1-3-15(4-2-14)26-17-24-10-13(11-25-17)16(27)23-9-12-5-7-22-8-6-12/h1-8,10-11H,9H2,(H,23,27)(H,24,25,26)
InChIKeyRAPFLZLBROHZAR-UHFFFAOYSA-N
XLogP3.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109259190) is N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(NCc1ccncc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is RAPFLZLBROHZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)14-1-3-15(4-2-14)26-17-24-10-13(11-25-17)16(27)23-9-12-5-7-22-8-6-12/h1-8,10-11H,9H2,(H,23,27)(H,24,25,26).
What are the key properties of N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109259190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).