5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C17H20ClN3 — CID 43782597

IUPAC5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NC(c2ccc(Cl)cc2)C2CC2)cn1
InChIInChI=1S/C17H20ClN3/c1-21(2)16-10-9-15(11-19-16)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h5-12,17,20H,3-4H2,1-2H3
InChIKeyFNSPTHZLOVICBD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.36
Rot. Bonds5

About 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43782597) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43782597
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCN(C)c1ccc(NC(c2ccc(Cl)cc2)C2CC2)cn1
InChIInChI=1S/C17H20ClN3/c1-21(2)16-10-9-15(11-19-16)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h5-12,17,20H,3-4H2,1-2H3
InChIKeyFNSPTHZLOVICBD-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine 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

5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782583
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
5-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690636
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine
CID 78910604
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690375

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43782597) is 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CN(C)c1ccc(NC(c2ccc(Cl)cc2)C2CC2)cn1.
What is the InChIKey of 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is FNSPTHZLOVICBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-21(2)16-10-9-15(11-19-16)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h5-12,17,20H,3-4H2,1-2H3.
What are the key properties of 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 301.82 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43782597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).