2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide

C19H22ClN3O2 — CID 109079423

IUPAC2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C19H22ClN3O2/c1-2-3-10-22-19(25)17-13-15(9-12-21-17)18(24)23-11-8-14-4-6-16(20)7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyRFKNVQAPJOZMEF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.24
Rot. Bonds8

About 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide

2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109079423) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109079423
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C19H22ClN3O2/c1-2-3-10-22-19(25)17-13-15(9-12-21-17)18(24)23-11-8-14-4-6-16(20)7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyRFKNVQAPJOZMEF-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109079423) is 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is RFKNVQAPJOZMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-3-10-22-19(25)17-13-15(9-12-21-17)18(24)23-11-8-14-4-6-16(20)7-5-14/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).