2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide

C21H19Cl2N3O — CID 58768975

IUPAC2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCC(c2cccc(Cl)c2)c2cccc(Cl)c2)ccn1
InChIInChI=1S/C21H19Cl2N3O/c22-17-5-1-3-14(11-17)19(15-4-2-6-18(23)12-15)8-10-26-21(27)16-7-9-25-20(24)13-16/h1-7,9,11-13,19H,8,10H2,(H2,24,25)(H,26,27)
InChIKeyMFVYKWNBXUWMFA-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.92
Rot. Bonds6

About 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide

2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide (PubChem CID 58768975) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide
PubChem CID58768975
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCC(c2cccc(Cl)c2)c2cccc(Cl)c2)ccn1
InChIInChI=1S/C21H19Cl2N3O/c22-17-5-1-3-14(11-17)19(15-4-2-6-18(23)12-15)8-10-26-21(27)16-7-9-25-20(24)13-16/h1-7,9,11-13,19H,8,10H2,(H2,24,25)(H,26,27)
InChIKeyMFVYKWNBXUWMFA-UHFFFAOYSA-N
XLogP4.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]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

2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide
CID 143326823
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
CID 20504940
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide (CID 58768975) is 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCC(c2cccc(Cl)c2)c2cccc(Cl)c2)ccn1.
What is the InChIKey of 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide?
The InChIKey is MFVYKWNBXUWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c22-17-5-1-3-14(11-17)19(15-4-2-6-18(23)12-15)8-10-26-21(27)16-7-9-25-20(24)13-16/h1-7,9,11-13,19H,8,10H2,(H2,24,25)(H,26,27).
What are the key properties of 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide?
2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide has a molecular weight of 400.31 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 58768975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).