N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

C28H30N4O — CID 143276916

IUPACN-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2ccc3[nH]ccc3c2)cc1CN(C(=O)c1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C28H30N4O/c1-20-3-4-22(23-5-6-27-24(17-23)9-14-30-27)18-25(20)19-32(26-10-15-31(2)16-11-26)28(33)21-7-12-29-13-8-21/h3-9,12-14,17-18,26,30H,10-11,15-16,19H2,1-2H3
InChIKeyZJBHLFCRTULDPR-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.27
Rot. Bonds5

About N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 143276916) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID143276916
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2ccc3[nH]ccc3c2)cc1CN(C(=O)c1ccncc1)C1CCN(C)CC1
InChIInChI=1S/C28H30N4O/c1-20-3-4-22(23-5-6-27-24(17-23)9-14-30-27)18-25(20)19-32(26-10-15-31(2)16-11-26)28(33)21-7-12-29-13-8-21/h3-9,12-14,17-18,26,30H,10-11,15-16,19H2,1-2H3
InChIKeyZJBHLFCRTULDPR-UHFFFAOYSA-N
XLogP5.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (CID 143276916) is N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is Cc1ccc(-c2ccc3[nH]ccc3c2)cc1CN(C(=O)c1ccncc1)C1CCN(C)CC1.
What is the InChIKey of N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is ZJBHLFCRTULDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-20-3-4-22(23-5-6-27-24(17-23)9-14-30-27)18-25(20)19-32(26-10-15-31(2)16-11-26)28(33)21-7-12-29-13-8-21/h3-9,12-14,17-18,26,30H,10-11,15-16,19H2,1-2H3.
What are the key properties of N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-indol-5-yl)-2-methylphenyl]methyl]-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 143276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).