N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide

C24H31N3O2 — CID 45191816

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccncc1
InChIInChI=1S/C24H31N3O2/c1-29-14-13-27(24(28)20-8-10-25-11-9-20)18-19-5-4-12-26(17-19)23-15-21-6-2-3-7-22(21)16-23/h2-3,6-11,19,23H,4-5,12-18H2,1H3
InChIKeySPDOCJWNDTZURX-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.05
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 45191816) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID45191816
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccncc1
InChIInChI=1S/C24H31N3O2/c1-29-14-13-27(24(28)20-8-10-25-11-9-20)18-19-5-4-12-26(17-19)23-15-21-6-2-3-7-22(21)16-23/h2-3,6-11,19,23H,4-5,12-18H2,1H3
InChIKeySPDOCJWNDTZURX-UHFFFAOYSA-N
XLogP3.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)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-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 45191816) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccncc1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is SPDOCJWNDTZURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-14-13-27(24(28)20-8-10-25-11-9-20)18-19-5-4-12-26(17-19)23-15-21-6-2-3-7-22(21)16-23/h2-3,6-11,19,23H,4-5,12-18H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 45191816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).