7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C18H19ClN4O — CID 56594658

IUPAC7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O/c19-10-6-7-12-14(8-10)23-16-13(17(20)24)9-21-18(15(12)16)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22)
InChIKeyZZLDWLCAHCKPNS-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.21
Rot. Bonds3

About 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 56594658) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID56594658
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O/c19-10-6-7-12-14(8-10)23-16-13(17(20)24)9-21-18(15(12)16)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22)
InChIKeyZZLDWLCAHCKPNS-UHFFFAOYSA-N
XLogP4.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-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 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 56594658) is 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is ZZLDWLCAHCKPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-10-6-7-12-14(8-10)23-16-13(17(20)24)9-21-18(15(12)16)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22).
What are the key properties of 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(cyclohexylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 56594658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).