4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide

C17H22ClN3O — CID 58011439

IUPAC4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cncc21
InChIInChI=1S/C17H22ClN3O/c1-21-11-13(16-14(18)9-19-10-15(16)21)17(22)20-8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3,(H,20,22)
InChIKeyIOHWWJKQJODXBH-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide

4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 58011439) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID58011439
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cncc21
InChIInChI=1S/C17H22ClN3O/c1-21-11-13(16-14(18)9-19-10-15(16)21)17(22)20-8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3,(H,20,22)
InChIKeyIOHWWJKQJODXBH-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]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

Related Compounds

CID 89150543
CID 89150543
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
CID 121393387
6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011385
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide (CID 58011439) is 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide is Cn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cncc21.
What is the InChIKey of 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is IOHWWJKQJODXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-21-11-13(16-14(18)9-19-10-15(16)21)17(22)20-8-12-6-4-2-3-5-7-12/h9-12H,2-8H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide?
4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 319.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 58011439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).