(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

C24H23N3O — CID 101454798

IUPAC(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21)c1cccc2ccccc12
InChIInChI=1S/C24H23N3O/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)26-24(28)23-22-20(13-14-25-23)19-10-4-5-12-21(19)27-22/h2-12,15,23,25,27H,13-14H2,1H3,(H,26,28)/t15-,23-/m1/s1
InChIKeyWUHYZDYUQUQCCD-IQMFZBJNSA-N
MW369.47 g/mol
LogP4.39
Rot. Bonds3

About (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide

(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 101454798) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID101454798
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21)c1cccc2ccccc12
InChIInChI=1S/C24H23N3O/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)26-24(28)23-22-20(13-14-25-23)19-10-4-5-12-21(19)27-22/h2-12,15,23,25,27H,13-14H2,1H3,(H,26,28)/t15-,23-/m1/s1
InChIKeyWUHYZDYUQUQCCD-IQMFZBJNSA-N
XLogP4.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 70041117
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
(1S)-1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7262088
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
benzyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate;hydrochloride
CID 141158550
N-naphthalen-1-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 70031753

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide (CID 101454798) is (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is C[C@@H](NC(=O)[C@@H]1NCCc2c1[nH]c1ccccc21)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is WUHYZDYUQUQCCD-IQMFZBJNSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15(17-11-6-8-16-7-2-3-9-18(16)17)26-24(28)23-22-20(13-14-25-23)19-10-4-5-12-21(19)27-22/h2-12,15,23,25,27H,13-14H2,1H3,(H,26,28)/t15-,23-/m1/s1.
What are the key properties of (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide?
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 101454798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).