8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C19H19ClN4O2 — CID 87038374

IUPAC8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1
InChIInChI=1S/C19H19ClN4O2/c1-26-18-5-2-12(9-21-18)10-22-19(25)24-7-6-17-15(11-24)14-8-13(20)3-4-16(14)23-17/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyQLVNJPHTGXWHME-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.49
Rot. Bonds3

About 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 87038374) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID87038374
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1
InChIInChI=1S/C19H19ClN4O2/c1-26-18-5-2-12(9-21-18)10-22-19(25)24-7-6-17-15(11-24)14-8-13(20)3-4-16(14)23-17/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyQLVNJPHTGXWHME-UHFFFAOYSA-N
XLogP3.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 87038374) is 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is COc1ccc(CNC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cn1.
What is the InChIKey of 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is QLVNJPHTGXWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-26-18-5-2-12(9-21-18)10-22-19(25)24-7-6-17-15(11-24)14-8-13(20)3-4-16(14)23-17/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,22,25).
What are the key properties of 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 87038374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).