5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C20H28N4O2 — CID 109230003

IUPAC5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(NCCCN(C)C)c1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-19-9-6-5-8-18(19)23-20(25)16-12-17(14-21-13-16)22-10-7-11-24(3)4/h5-6,8-9,12-15,22H,7,10-11H2,1-4H3,(H,23,25)
InChIKeyVNHNPFIZKBWVFI-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.48
Rot. Bonds9

About 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109230003) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109230003
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(NCCCN(C)C)c1
InChIInChI=1S/C20H28N4O2/c1-15(2)26-19-9-6-5-8-18(19)23-20(25)16-12-17(14-21-13-16)22-10-7-11-24(3)4/h5-6,8-9,12-15,22H,7,10-11H2,1-4H3,(H,23,25)
InChIKeyVNHNPFIZKBWVFI-UHFFFAOYSA-N
XLogP3.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-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

5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109230003) is 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cncc(NCCCN(C)C)c1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is VNHNPFIZKBWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)26-19-9-6-5-8-18(19)23-20(25)16-12-17(14-21-13-16)22-10-7-11-24(3)4/h5-6,8-9,12-15,22H,7,10-11H2,1-4H3,(H,23,25).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).