N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide

C16H15ClN2O — CID 114302241

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC2c3ccccc3CC2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-10-6-12(9-18-8-10)16(20)19-15-13-5-3-2-4-11(13)7-14(15)17/h2-6,8-9,14-15H,7H2,1H3,(H,19,20)
InChIKeyFNDPQPORABYSEU-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.02
Rot. Bonds2

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide (PubChem CID 114302241) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
PubChem CID114302241
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC2c3ccccc3CC2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-10-6-12(9-18-8-10)16(20)19-15-13-5-3-2-4-11(13)7-14(15)17/h2-6,8-9,14-15H,7H2,1H3,(H,19,20)
InChIKeyFNDPQPORABYSEU-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-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

Related Compounds

3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114302101
4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114302056
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide (CID 114302241) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NC2c3ccccc3CC2Cl)c1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is FNDPQPORABYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-6-12(9-18-8-10)16(20)19-15-13-5-3-2-4-11(13)7-14(15)17/h2-6,8-9,14-15H,7H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 114302241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).