6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C17H12Cl2N4O — CID 67218717

IUPAC6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H12Cl2N4O/c18-13-2-1-12(7-14(13)19)15-8-16(23-10-22-15)17(24)21-9-11-3-5-20-6-4-11/h1-8,10H,9H2,(H,21,24)
InChIKeyGGGGTPFXIUGIDD-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.78
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 67218717) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID67218717
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H12Cl2N4O/c18-13-2-1-12(7-14(13)19)15-8-16(23-10-22-15)17(24)21-9-11-3-5-20-6-4-11/h1-8,10H,9H2,(H,21,24)
InChIKeyGGGGTPFXIUGIDD-UHFFFAOYSA-N
XLogP3.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 71506432
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
CID 69159261
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
6-[3-chloro-4-(hydroxymethyl)phenyl]pyrimidine-4-carboxylic acid
CID 162772506
4-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-dicarboxamide
CID 10071167

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 67218717) is 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is GGGGTPFXIUGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-13-2-1-12(7-14(13)19)15-8-16(23-10-22-15)17(24)21-9-11-3-5-20-6-4-11/h1-8,10H,9H2,(H,21,24).
What are the key properties of 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 67218717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).