N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide

C15H14Cl2N2O — CID 66474102

IUPACN-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-7-9-19(11-12-4-2-1-3-5-12)15(20)13-6-8-18-10-14(13)17/h1-6,8,10H,7,9,11H2
InChIKeyDHPIKZKFMJFKPT-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide

N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide (PubChem CID 66474102) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
PubChem CID66474102
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1Cl)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-7-9-19(11-12-4-2-1-3-5-12)15(20)13-6-8-18-10-14(13)17/h1-6,8,10H,7,9,11H2
InChIKeyDHPIKZKFMJFKPT-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide 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

N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide (CID 66474102) is N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide is O=C(c1ccncc1Cl)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide?
The InChIKey is DHPIKZKFMJFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-7-9-19(11-12-4-2-1-3-5-12)15(20)13-6-8-18-10-14(13)17/h1-6,8,10H,7,9,11H2.
What are the key properties of N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide?
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66474102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).