4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C18H20ClN3O3 — CID 109082732

IUPAC4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-12-4-5-14(19)11-15(12)22-17(23)13-6-8-20-16(10-13)18(24)21-7-3-9-25-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLLDQMBVOQPBABW-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.06
Rot. Bonds7

About 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082732) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082732
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-12-4-5-14(19)11-15(12)22-17(23)13-6-8-20-16(10-13)18(24)21-7-3-9-25-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLLDQMBVOQPBABW-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082783
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082732) is 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is COCCCNC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccn1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is LLDQMBVOQPBABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-4-5-14(19)11-15(12)22-17(23)13-6-8-20-16(10-13)18(24)21-7-3-9-25-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).