5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide

C20H26N4O — CID 109179591

IUPAC5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H26N4O/c1-15(2)22-20(25)19-11-8-17(14-21-19)23-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeySNBRTFHBOJHOLH-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.95
Rot. Bonds5

About 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide

5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109179591) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109179591
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H26N4O/c1-15(2)22-20(25)19-11-8-17(14-21-19)23-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeySNBRTFHBOJHOLH-UHFFFAOYSA-N
XLogP3.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-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

N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide (CID 109179591) is 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SNBRTFHBOJHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)22-20(25)19-11-8-17(14-21-19)23-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,25).
What are the key properties of 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide?
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109179591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).