N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

C17H12F2N4O — CID 71841604

IUPACN-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12F2N4O/c18-14-3-1-11(15(19)5-14)8-23-17(24)12-2-4-16(22-9-12)13-6-20-10-21-7-13/h1-7,9-10H,8H2,(H,23,24)
InChIKeyCBASYCAGAVIJRT-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.75
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 71841604) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID71841604
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12F2N4O/c18-14-3-1-11(15(19)5-14)8-23-17(24)12-2-4-16(22-9-12)13-6-20-10-21-7-13/h1-7,9-10H,8H2,(H,23,24)
InChIKeyCBASYCAGAVIJRT-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

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Related Compounds

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CID 9865515
Ck-2127107
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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-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 71841604) is N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccc(-c2cncnc2)nc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is CBASYCAGAVIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-14-3-1-11(15(19)5-14)8-23-17(24)12-2-4-16(22-9-12)13-6-20-10-21-7-13/h1-7,9-10H,8H2,(H,23,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-[(2,4-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-[(2,4-difluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 71841604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).