N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C18H16ClN3O — CID 931460

IUPACN-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H16ClN3O/c19-12-5-7-13(8-6-12)20-18(23)22-10-9-17-15(11-22)14-3-1-2-4-16(14)21-17/h1-8,21H,9-11H2,(H,20,23)
InChIKeyWALNSSCBFZGRAA-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.41
Rot. Bonds1

About N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 931460) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID931460
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C18H16ClN3O/c19-12-5-7-13(8-6-12)20-18(23)22-10-9-17-15(11-22)14-3-1-2-4-16(14)21-17/h1-8,21H,9-11H2,(H,20,23)
InChIKeyWALNSSCBFZGRAA-UHFFFAOYSA-N
XLogP4.41
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.41
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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CID 60149
ST-1936
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2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 9817960
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
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6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
8-Chloro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
CID 904970
8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indole
CID 19615
2-(2-(4-Phenylpiperidin-1-Yl)ethyl)-1h-Indole
CID 5013705
N-(4-chlorophenyl)-4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44342518
1-benzhydryl-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168280315

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 931460) is N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is WALNSSCBFZGRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-12-5-7-13(8-6-12)20-18(23)22-10-9-17-15(11-22)14-3-1-2-4-16(14)21-17/h1-8,21H,9-11H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 931460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).