N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

C20H28N4O — CID 109207769

IUPACN-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C20H28N4O/c1-24(2)15-7-13-23-20(25)19-16-18(11-14-22-19)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,11,14,16H,6-7,10,12-13,15H2,1-2H3,(H,21,22)(H,23,25)
InChIKeySZEMHJDGOJRPFF-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.81
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109207769) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109207769
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C20H28N4O/c1-24(2)15-7-13-23-20(25)19-16-18(11-14-22-19)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,11,14,16H,6-7,10,12-13,15H2,1-2H3,(H,21,22)(H,23,25)
InChIKeySZEMHJDGOJRPFF-UHFFFAOYSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)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

4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109207769) is N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(NCCCc2ccccc2)ccn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is SZEMHJDGOJRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24(2)15-7-13-23-20(25)19-16-18(11-14-22-19)21-12-6-10-17-8-4-3-5-9-17/h3-5,8-9,11,14,16H,6-7,10,12-13,15H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109207769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).