4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

C18H18ClN3O2 — CID 109078681

IUPAC4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(10-14)6-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-4-5-15/h1-3,7,9-11,15H,4-6,8H2,(H,21,23)(H,22,24)
InChIKeyZDIKNHPJOGDWPR-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.60
Rot. Bonds6

About 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 109078681) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID109078681
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(10-14)6-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-4-5-15/h1-3,7,9-11,15H,4-6,8H2,(H,21,23)(H,22,24)
InChIKeyZDIKNHPJOGDWPR-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109078635
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 109078681) is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(NCCc1cccc(Cl)c1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is ZDIKNHPJOGDWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(10-14)6-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-4-5-15/h1-3,7,9-11,15H,4-6,8H2,(H,21,23)(H,22,24).
What are the key properties of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).