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

C22H14Cl2N4O — CID 155927396

IUPACN-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)n1)c1cccnc1
InChIInChI=1S/C22H14Cl2N4O/c23-16-9-7-14(8-10-16)19-12-20(17-5-1-2-6-18(17)24)27-22(26-19)28-21(29)15-4-3-11-25-13-15/h1-13H,(H,26,27,28,29)
InChIKeyHOBVNVZHTKAXLE-UHFFFAOYSA-N
MW421.29 g/mol
LogP5.76
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide (PubChem CID 155927396) has the molecular formula C22H14Cl2N4O and a molecular weight of 421.29 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
PubChem CID155927396
Molecular FormulaC22H14Cl2N4O
Molecular Weight421.29 g/mol
Exact Mass420.05
IUPAC NameN-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)n1)c1cccnc1
InChIInChI=1S/C22H14Cl2N4O/c23-16-9-7-14(8-10-16)19-12-20(17-5-1-2-6-18(17)24)27-22(26-19)28-21(29)15-4-3-11-25-13-15/h1-13H,(H,26,27,28,29)
InChIKeyHOBVNVZHTKAXLE-UHFFFAOYSA-N
XLogP5.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.29
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
CID 23318691
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[2-(4-chlorophenyl)-4-methylphenyl]pyridine-3-carboxamide
CID 110442905
2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
CID 135970584
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide (CID 155927396) is N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2Cl)n1)c1cccnc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The InChIKey is HOBVNVZHTKAXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4O/c23-16-9-7-14(8-10-16)19-12-20(17-5-1-2-6-18(17)24)27-22(26-19)28-21(29)15-4-3-11-25-13-15/h1-13H,(H,26,27,28,29).
What are the key properties of N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide?
N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide has a molecular weight of 421.29 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6-(4-chlorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155927396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).