N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C18H23N3O2 — CID 110667981

IUPACN-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1cccc2c3c([nH]c12)CCN(C(=O)NC1CCCC1)C3
InChIInChI=1S/C18H23N3O2/c1-23-16-8-4-7-13-14-11-21(10-9-15(14)20-17(13)16)18(22)19-12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-11H2,1H3,(H,19,22)
InChIKeyBNXIUVRHPWLZNI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds2

About N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 110667981) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID110667981
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESCOc1cccc2c3c([nH]c12)CCN(C(=O)NC1CCCC1)C3
InChIInChI=1S/C18H23N3O2/c1-23-16-8-4-7-13-14-11-21(10-9-15(14)20-17(13)16)18(22)19-12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-11H2,1H3,(H,19,22)
InChIKeyBNXIUVRHPWLZNI-UHFFFAOYSA-N
XLogP3.19
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
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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Related Compounds

cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927
2-ethyl-1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 110667883
(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-pyridin-2-ylmethanone
CID 110667856
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenoxy)ethanone
CID 110667941
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 25142440
8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154746108
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-cyclopropyl-8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 113089438
8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84631866
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-(1-cyanocyclopropyl)-2-(6-propoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexane-1-carboxamide
CID 68573118

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 110667981) is N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is COc1cccc2c3c([nH]c12)CCN(C(=O)NC1CCCC1)C3.
What is the InChIKey of N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is BNXIUVRHPWLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-16-8-4-7-13-14-11-21(10-9-15(14)20-17(13)16)18(22)19-12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-11H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 110667981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).