N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide

C20H26ClN3O — CID 113379794

IUPACN-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H26ClN3O/c1-4-8-18-13-17(14-19(21)22-18)20(25)24(12-11-23(2)3)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3
InChIKeyIMVLWGLMNCKOGZ-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.89
Rot. Bonds8

About N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide

N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide (PubChem CID 113379794) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
PubChem CID113379794
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C20H26ClN3O/c1-4-8-18-13-17(14-19(21)22-18)20(25)24(12-11-23(2)3)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3
InChIKeyIMVLWGLMNCKOGZ-UHFFFAOYSA-N
XLogP3.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 110910720
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
CID 129054347
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970
2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 78811414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide (CID 113379794) is N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)cc(Cl)n1.
What is the InChIKey of N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide?
The InChIKey is IMVLWGLMNCKOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-4-8-18-13-17(14-19(21)22-18)20(25)24(12-11-23(2)3)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3.
What are the key properties of N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide?
N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).