5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C24H27N3O — CID 42695129

IUPAC5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3c(c4ccccc4n3CC3CC3)C2)c1
InChIInChI=1S/C24H27N3O/c1-2-17-6-5-7-19(14-17)25-24(28)26-13-12-23-21(16-26)20-8-3-4-9-22(20)27(23)15-18-10-11-18/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,25,28)
InChIKeyMZKACNXQMPURKK-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.20
Rot. Bonds4

About 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 42695129) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID42695129
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCCc1cccc(NC(=O)N2CCc3c(c4ccccc4n3CC3CC3)C2)c1
InChIInChI=1S/C24H27N3O/c1-2-17-6-5-7-19(14-17)25-24(28)26-13-12-23-21(16-26)20-8-3-4-9-22(20)27(23)15-18-10-11-18/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,25,28)
InChIKeyMZKACNXQMPURKK-UHFFFAOYSA-N
XLogP5.20
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(cyclopropylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 42695040
9-benzyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 18788163
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
4-(2,6-dimethylmorpholin-4-yl)-N-(3-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786966
N-(3-ethylphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787853
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
N-(3-ethylphenyl)-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
CID 53184013
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688196

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 42695129) is 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is CCc1cccc(NC(=O)N2CCc3c(c4ccccc4n3CC3CC3)C2)c1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is MZKACNXQMPURKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-17-6-5-7-19(14-17)25-24(28)26-13-12-23-21(16-26)20-8-3-4-9-22(20)27(23)15-18-10-11-18/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 42695129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).