5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide

C18H20ClN3O3 — CID 109102217

IUPAC5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11(2)8-21-17(23)12-6-13(10-20-9-12)18(24)22-14-4-5-16(25-3)15(19)7-14/h4-7,9-11H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIBYWOUZRPPPKNU-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.38
Rot. Bonds6

About 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide

5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 109102217) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
PubChem CID109102217
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-11(2)8-21-17(23)12-6-13(10-20-9-12)18(24)22-14-4-5-16(25-3)15(19)7-14/h4-7,9-11H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIBYWOUZRPPPKNU-UHFFFAOYSA-N
XLogP3.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
N-(3-chloro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102940
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958078
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide (CID 109102217) is 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is COc1ccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)cc1Cl.
What is the InChIKey of 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is IBYWOUZRPPPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(2)8-21-17(23)12-6-13(10-20-9-12)18(24)22-14-4-5-16(25-3)15(19)7-14/h4-7,9-11H,8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide?
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).