2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C17H17Cl2N3O3 — CID 109082627

IUPAC2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-9-3-7-21-16(23)11-6-8-20-14(10-11)17(24)22-13-5-2-4-12(18)15(13)19/h2,4-6,8,10H,3,7,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyCIQJLXKPTDPPKB-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.41
Rot. Bonds7

About 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082627) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082627
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-9-3-7-21-16(23)11-6-8-20-14(10-11)17(24)22-13-5-2-4-12(18)15(13)19/h2,4-6,8,10H,3,7,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyCIQJLXKPTDPPKB-UHFFFAOYSA-N
XLogP3.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.41
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

2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
4-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077995
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082627) is 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is COCCCNC(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is CIQJLXKPTDPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-25-9-3-7-21-16(23)11-6-8-20-14(10-11)17(24)22-13-5-2-4-12(18)15(13)19/h2,4-6,8,10H,3,7,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).