8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C13H14ClN3O — CID 47306828

IUPAC8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCNC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H14ClN3O/c1-15-13(18)17-5-4-12-10(7-17)9-6-8(14)2-3-11(9)16-12/h2-3,6,16H,4-5,7H2,1H3,(H,15,18)
InChIKeyMZPWJSWBDBDCMQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.52
Rot. Bonds

About 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 47306828) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID47306828
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCNC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C13H14ClN3O/c1-15-13(18)17-5-4-12-10(7-17)9-6-8(14)2-3-11(9)16-12/h2-3,6,16H,4-5,7H2,1H3,(H,15,18)
InChIKeyMZPWJSWBDBDCMQ-UHFFFAOYSA-N
XLogP2.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 47306828) is 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is CNC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is MZPWJSWBDBDCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-15-13(18)17-5-4-12-10(7-17)9-6-8(14)2-3-11(9)16-12/h2-3,6,16H,4-5,7H2,1H3,(H,15,18).
What are the key properties of 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 47306828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).