N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

C18H23ClN4O — CID 109186180

IUPACN-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C18H23ClN4O/c1-13-5-6-14(19)11-17(13)22-18(24)16-8-7-15(12-21-16)20-9-4-10-23(2)3/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyUGBVEHBNXHUIQJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.66
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 109186180) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
PubChem CID109186180
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C18H23ClN4O/c1-13-5-6-14(19)11-17(13)22-18(24)16-8-7-15(12-21-16)20-9-4-10-23(2)3/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyUGBVEHBNXHUIQJ-UHFFFAOYSA-N
XLogP3.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-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-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
6-N-(5-chloro-2-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096365
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(5-chloro-2-methylphenyl)-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183168
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide (CID 109186180) is N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCCN(C)C)cn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is UGBVEHBNXHUIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-5-6-14(19)11-17(13)22-18(24)16-8-7-15(12-21-16)20-9-4-10-23(2)3/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109186180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).