N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide

C18H16ClN3O — CID 113096983

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1cccnc1
InChIInChI=1S/C18H16ClN3O/c19-12-3-5-16-14(8-12)15-9-13(4-6-17(15)22-16)21-18(23)11-2-1-7-20-10-11/h1-3,5,7-8,10,13,22H,4,6,9H2,(H,21,23)
InChIKeyPPMCEELXAMXDHW-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.50
Rot. Bonds2

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide (PubChem CID 113096983) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
PubChem CID113096983
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1cccnc1
InChIInChI=1S/C18H16ClN3O/c19-12-3-5-16-14(8-12)15-9-13(4-6-17(15)22-16)21-18(23)11-2-1-7-20-10-11/h1-3,5,7-8,10,13,22H,4,6,9H2,(H,21,23)
InChIKeyPPMCEELXAMXDHW-UHFFFAOYSA-N
XLogP3.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)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

3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
CID 92768183
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097229
6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 166239576
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide (CID 113096983) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide is O=C(NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1cccnc1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide?
The InChIKey is PPMCEELXAMXDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-12-3-5-16-14(8-12)15-9-13(4-6-17(15)22-16)21-18(23)11-2-1-7-20-10-11/h1-3,5,7-8,10,13,22H,4,6,9H2,(H,21,23).
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113096983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).