2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

C22H32N6O — CID 109168430

IUPAC2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C22H32N6O/c1-26(2)12-4-10-23-21-17-18(9-11-24-21)22(29)25-19-5-7-20(8-6-19)28-15-13-27(3)14-16-28/h5-9,11,17H,4,10,12-16H2,1-3H3,(H,23,24)(H,25,29)
InChIKeyBLUUNGIVDMRDIJ-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.45
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 109168430) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID109168430
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C22H32N6O/c1-26(2)12-4-10-23-21-17-18(9-11-24-21)22(29)25-19-5-7-20(8-6-19)28-15-13-27(3)14-16-28/h5-9,11,17H,4,10,12-16H2,1-3H3,(H,23,24)(H,25,29)
InChIKeyBLUUNGIVDMRDIJ-UHFFFAOYSA-N
XLogP2.45
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]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

N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
2-[3-(dimethylamino)propylamino]-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109253609
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
CID 109168441
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (CID 109168430) is 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is CN(C)CCCNc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is BLUUNGIVDMRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-26(2)12-4-10-23-21-17-18(9-11-24-21)22(29)25-19-5-7-20(8-6-19)28-15-13-27(3)14-16-28/h5-9,11,17H,4,10,12-16H2,1-3H3,(H,23,24)(H,25,29).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).