N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

C17H12F2N4O — CID 71841603

IUPACN-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12F2N4O/c18-14-3-11(4-15(19)5-14)6-23-17(24)12-1-2-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24)
InChIKeyHHPIMNNPHBVVDD-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.75
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 71841603) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID71841603
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12F2N4O/c18-14-3-11(4-15(19)5-14)6-23-17(24)12-1-2-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24)
InChIKeyHHPIMNNPHBVVDD-UHFFFAOYSA-N
XLogP2.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-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

Mocetinostat
CID 9865515
Ck-2127107
CID 67454400
Jnk-IN-7
CID 57340685
Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16109016
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 71841603) is N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cncnc2)nc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is HHPIMNNPHBVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-14-3-11(4-15(19)5-14)6-23-17(24)12-1-2-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 71841603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).