6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide

C17H14ClN5O3 — CID 162772487

IUPAC6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cnn(C)c(=O)c3)ncn2)cc1Cl
InChIInChI=1S/C17H14ClN5O3/c1-23-16(24)6-11(8-21-23)22-17(25)14-7-13(19-9-20-14)10-3-4-15(26-2)12(18)5-10/h3-9H,1-2H3,(H,22,25)
InChIKeyONMMQBSAPGWQCL-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.15
Rot. Bonds4

About 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide

6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide (PubChem CID 162772487) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide
PubChem CID162772487
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cnn(C)c(=O)c3)ncn2)cc1Cl
InChIInChI=1S/C17H14ClN5O3/c1-23-16(24)6-11(8-21-23)22-17(25)14-7-13(19-9-20-14)10-3-4-15(26-2)12(18)5-10/h3-9H,1-2H3,(H,22,25)
InChIKeyONMMQBSAPGWQCL-UHFFFAOYSA-N
XLogP2.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
CID 71292443
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide (CID 162772487) is 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cnn(C)c(=O)c3)ncn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is ONMMQBSAPGWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c1-23-16(24)6-11(8-21-23)22-17(25)14-7-13(19-9-20-14)10-3-4-15(26-2)12(18)5-10/h3-9H,1-2H3,(H,22,25).
What are the key properties of 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 371.78 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)-N-(1-methyl-6-oxopyridazin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).