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

C19H15F3N4O2 — CID 1485637

IUPACN-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)10-25-18(27)14-11-24-17(15-7-2-3-8-23-15)26-16(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyGQAIHPSZPUPSPF-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.50
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 1485637) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID1485637
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)10-25-18(27)14-11-24-17(15-7-2-3-8-23-15)26-16(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyGQAIHPSZPUPSPF-UHFFFAOYSA-N
XLogP3.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine
CID 135418404
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 71544013
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
2-amino-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 89463725

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 1485637) is N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is GQAIHPSZPUPSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)10-25-18(27)14-11-24-17(15-7-2-3-8-23-15)26-16(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 1485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).