4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide

C27H32N4O — CID 72943278

IUPAC4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-22(28)6-8-31)27(32)30-23-13-19(3)10-20(4)14-23/h9-16,22H,5-8,28H2,1-4H3,(H,30,32)
InChIKeyKYXZXYZWAQWHBG-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.16
Rot. Bonds4

About 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide

4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 72943278) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID72943278
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-22(28)6-8-31)27(32)30-23-13-19(3)10-20(4)14-23/h9-16,22H,5-8,28H2,1-4H3,(H,30,32)
InChIKeyKYXZXYZWAQWHBG-UHFFFAOYSA-N
XLogP5.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide (CID 72943278) is 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is KYXZXYZWAQWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-22(28)6-8-31)27(32)30-23-13-19(3)10-20(4)14-23/h9-16,22H,5-8,28H2,1-4H3,(H,30,32).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide?
4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N,5-bis(3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 72943278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).