2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide

C20H24ClN3O2 — CID 109086759

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-3-11-24(12-4-2)20(26)16-9-10-22-18(13-16)19(25)23-14-15-5-7-17(21)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
InChIKeyIEMBJNWOADZSLD-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.93
Rot. Bonds8

About 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109086759) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109086759
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O2/c1-3-11-24(12-4-2)20(26)16-9-10-22-18(13-16)19(25)23-14-15-5-7-17(21)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
InChIKeyIEMBJNWOADZSLD-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109170952
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086999
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide (CID 109086759) is 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1ccnc(C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is IEMBJNWOADZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-11-24(12-4-2)20(26)16-9-10-22-18(13-16)19(25)23-14-15-5-7-17(21)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).