2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C22H29N5O2 — CID 109079711

IUPAC2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H29N5O2/c1-16(2)15-24-21(28)17-8-9-23-20(14-17)22(29)25-18-4-6-19(7-5-18)27-12-10-26(3)11-13-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPYGHUTOUMZSNBR-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.47
Rot. Bonds6

About 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079711) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079711
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H29N5O2/c1-16(2)15-24-21(28)17-8-9-23-20(14-17)22(29)25-18-4-6-19(7-5-18)27-12-10-26(3)11-13-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyPYGHUTOUMZSNBR-UHFFFAOYSA-N
XLogP2.47
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide 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-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079711) is 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CC(C)CNC(=O)c1ccnc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is PYGHUTOUMZSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)15-24-21(28)17-8-9-23-20(14-17)22(29)25-18-4-6-19(7-5-18)27-12-10-26(3)11-13-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).