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

C21H26ClN3O2 — CID 109088514

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H26ClN3O2/c1-3-13-25(14-4-2)21(27)19-15-17(10-12-23-19)20(26)24-11-9-16-5-7-18(22)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,24,26)
InChIKeyIUNQHZYGHORALL-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.97
Rot. Bonds9

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

4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (PubChem CID 109088514) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
PubChem CID109088514
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H26ClN3O2/c1-3-13-25(14-4-2)21(27)19-15-17(10-12-23-19)20(26)24-11-9-16-5-7-18(22)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,24,26)
InChIKeyIUNQHZYGHORALL-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109086759
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088909
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109170952
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide (CID 109088514) is 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
The InChIKey is IUNQHZYGHORALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-13-25(14-4-2)21(27)19-15-17(10-12-23-19)20(26)24-11-9-16-5-7-18(22)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide?
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).