8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C19H19ClN4O — CID 87037959

IUPAC8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCC(NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccncc1
InChIInChI=1S/C19H19ClN4O/c1-12(13-4-7-21-8-5-13)22-19(25)24-9-6-18-16(11-24)15-10-14(20)2-3-17(15)23-18/h2-5,7-8,10,12,23H,6,9,11H2,1H3,(H,22,25)
InChIKeyFZYSOFGHWXXLIN-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.05
Rot. Bonds2

About 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 87037959) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID87037959
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCC(NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccncc1
InChIInChI=1S/C19H19ClN4O/c1-12(13-4-7-21-8-5-13)22-19(25)24-9-6-18-16(11-24)15-10-14(20)2-3-17(15)23-18/h2-5,7-8,10,12,23H,6,9,11H2,1H3,(H,22,25)
InChIKeyFZYSOFGHWXXLIN-UHFFFAOYSA-N
XLogP4.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 87037959) is 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is CC(NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccncc1.
What is the InChIKey of 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is FZYSOFGHWXXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12(13-4-7-21-8-5-13)22-19(25)24-9-6-18-16(11-24)15-10-14(20)2-3-17(15)23-18/h2-5,7-8,10,12,23H,6,9,11H2,1H3,(H,22,25).
What are the key properties of 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 87037959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).