6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide

C17H12Cl2N4O — CID 67218380

IUPAC6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)cn1
InChIInChI=1S/C17H12Cl2N4O/c1-10-2-4-12(8-20-10)23-17(24)16-7-15(21-9-22-16)11-3-5-13(18)14(19)6-11/h2-9H,1H3,(H,23,24)
InChIKeyUEAGJIAALCASQX-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.41
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 67218380) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID67218380
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)cn1
InChIInChI=1S/C17H12Cl2N4O/c1-10-2-4-12(8-20-10)23-17(24)16-7-15(21-9-22-16)11-3-5-13(18)14(19)6-11/h2-9H,1H3,(H,23,24)
InChIKeyUEAGJIAALCASQX-UHFFFAOYSA-N
XLogP4.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 87314477
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
CID 144702320
6-(3,4-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 71506432
6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide
CID 162772487
6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 67218717
6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
CID 71292443
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
6-(3,4-dichlorophenyl)-N'-(methylamino)pyrimidine-4-carboximidamide
CID 123460331
6-(3,4-dichlorophenyl)-N-[(2S)-pyrrolidine-2-carbonyl]pyrimidine-4-carboxamide
CID 71282654
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 67218380) is 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ncn2)cn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is UEAGJIAALCASQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c1-10-2-4-12(8-20-10)23-17(24)16-7-15(21-9-22-16)11-3-5-13(18)14(19)6-11/h2-9H,1H3,(H,23,24).
What are the key properties of 6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.41, 3 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-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 67218380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).