N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide

C25H34N4O — CID 170419106

IUPACN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)Cc2ccc(NC3Cc4ccccc4C3(C)C)cn2)C1
InChIInChI=1S/C25H34N4O/c1-25(2)22-10-6-5-8-18(22)14-23(25)27-20-11-12-21(26-15-20)17-29(4)24(30)19-9-7-13-28(3)16-19/h5-6,8,10-12,15,19,23,27H,7,9,13-14,16-17H2,1-4H3
InChIKeyRACSQDFBNGCJJF-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.70
Rot. Bonds5

About N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide

N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide (PubChem CID 170419106) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide
PubChem CID170419106
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)Cc2ccc(NC3Cc4ccccc4C3(C)C)cn2)C1
InChIInChI=1S/C25H34N4O/c1-25(2)22-10-6-5-8-18(22)14-23(25)27-20-11-12-21(26-15-20)17-29(4)24(30)19-9-7-13-28(3)16-19/h5-6,8,10-12,15,19,23,27H,7,9,13-14,16-17H2,1-4H3
InChIKeyRACSQDFBNGCJJF-UHFFFAOYSA-N
XLogP3.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-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 N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide?
The IUPAC name of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide (CID 170419106) is N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide?
The canonical SMILES for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide is CN1CCCC(C(=O)N(C)Cc2ccc(NC3Cc4ccccc4C3(C)C)cn2)C1.
What is the InChIKey of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide?
The InChIKey is RACSQDFBNGCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-25(2)22-10-6-5-8-18(22)14-23(25)27-20-11-12-21(26-15-20)17-29(4)24(30)19-9-7-13-28(3)16-19/h5-6,8,10-12,15,19,23,27H,7,9,13-14,16-17H2,1-4H3.
What are the key properties of N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide?
N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]methyl]-N,1-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 170419106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).