1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide

C12H9ClN4O — CID 23582061

IUPAC1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C12H9ClN4O/c13-7-3-1-2-5-8-10(17-9(5)7)6(12(15)18)4-16-11(8)14/h1-4,17H,(H2,14,16)(H2,15,18)
InChIKeyWFAKTIXTQACENU-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.05
Rot. Bonds1

About 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide

1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582061) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582061
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C12H9ClN4O/c13-7-3-1-2-5-8-10(17-9(5)7)6(12(15)18)4-16-11(8)14/h1-4,17H,(H2,14,16)(H2,15,18)
InChIKeyWFAKTIXTQACENU-UHFFFAOYSA-N
XLogP2.05
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582061) is 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N)c2c1[nH]c1c(Cl)cccc12.
What is the InChIKey of 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is WFAKTIXTQACENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-7-3-1-2-5-8-10(17-9(5)7)6(12(15)18)4-16-11(8)14/h1-4,17H,(H2,14,16)(H2,15,18).
What are the key properties of 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 260.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-chloro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).