2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide

C22H28N4O2 — CID 109078164

IUPAC2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(C(=O)NC(C)C)ccn3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-15(2)24-21(27)17-8-11-23-20(14-17)22(28)25-18-4-6-19(7-5-18)26-12-9-16(3)10-13-26/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyMPBHQTGFLDOUHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.71
Rot. Bonds5

About 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109078164) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109078164
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(C(=O)NC(C)C)ccn3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-15(2)24-21(27)17-8-11-23-20(14-17)22(28)25-18-4-6-19(7-5-18)26-12-9-16(3)10-13-26/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyMPBHQTGFLDOUHI-UHFFFAOYSA-N
XLogP3.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-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-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
N-(4-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109078164) is 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide is CC1CCN(c2ccc(NC(=O)c3cc(C(=O)NC(C)C)ccn3)cc2)CC1.
What is the InChIKey of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is MPBHQTGFLDOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15(2)24-21(27)17-8-11-23-20(14-17)22(28)25-18-4-6-19(7-5-18)26-12-9-16(3)10-13-26/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).