4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide

C20H26ClN3O — CID 109215470

IUPAC4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H26ClN3O/c1-3-13-24(14-4-2)20(25)19-15-18(10-12-23-19)22-11-9-16-5-7-17(21)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,23)
InChIKeyCENDWGOUFFGEMZ-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.65
Rot. Bonds9

About 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide

4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109215470) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109215470
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H26ClN3O/c1-3-13-24(14-4-2)20(25)19-15-18(10-12-23-19)22-11-9-16-5-7-17(21)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,23)
InChIKeyCENDWGOUFFGEMZ-UHFFFAOYSA-N
XLogP4.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109088514
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213420
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide (CID 109215470) is 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is CENDWGOUFFGEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-3-13-24(14-4-2)20(25)19-15-18(10-12-23-19)22-11-9-16-5-7-17(21)8-6-16/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide?
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109215470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).