N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide

C22H14ClFN4O — CID 155927543

IUPACN-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccnc1
InChIInChI=1S/C22H14ClFN4O/c23-17-7-3-14(4-8-17)19-12-20(15-5-9-18(24)10-6-15)27-22(26-19)28-21(29)16-2-1-11-25-13-16/h1-13H,(H,26,27,28,29)
InChIKeyKALGXVHKCFZOGR-UHFFFAOYSA-N
MW404.83 g/mol
LogP5.25
Rot. Bonds4

About N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide

N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide (PubChem CID 155927543) has the molecular formula C22H14ClFN4O and a molecular weight of 404.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
PubChem CID155927543
Molecular FormulaC22H14ClFN4O
Molecular Weight404.83 g/mol
Exact Mass404.08
IUPAC NameN-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccnc1
InChIInChI=1S/C22H14ClFN4O/c23-17-7-3-14(4-8-17)19-12-20(15-5-9-18(24)10-6-15)27-22(26-19)28-21(29)16-2-1-11-25-13-16/h1-13H,(H,26,27,28,29)
InChIKeyKALGXVHKCFZOGR-UHFFFAOYSA-N
XLogP5.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.83
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927396
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[2-(4-chlorophenyl)-4-methylphenyl]pyridine-3-carboxamide
CID 110442905
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
CID 23318691
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155106365
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide (CID 155927543) is N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)cc2)n1)c1cccnc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The InChIKey is KALGXVHKCFZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O/c23-17-7-3-14(4-8-17)19-12-20(15-5-9-18(24)10-6-15)27-22(26-19)28-21(29)16-2-1-11-25-13-16/h1-13H,(H,26,27,28,29).
What are the key properties of N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide has a molecular weight of 404.83 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155927543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).