(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide

C13H16N4O — CID 156772304

IUPAC(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide
SMILESC[C@H]1N[C@@H](C(=O)NN)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C13H16N4O/c1-7-12-9(6-11(15-7)13(18)17-14)8-4-2-3-5-10(8)16-12/h2-5,7,11,15-16H,6,14H2,1H3,(H,17,18)/t7-,11-/m1/s1
InChIKeyJBWBBKSDBPQCII-RDDDGLTNSA-N
MW244.30 g/mol
LogP0.73
Rot. Bonds1

About (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide

(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide (PubChem CID 156772304) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide.

Molecular Properties

Compound Name(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide
PubChem CID156772304
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide
SMILESC[C@H]1N[C@@H](C(=O)NN)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C13H16N4O/c1-7-12-9(6-11(15-7)13(18)17-14)8-4-2-3-5-10(8)16-12/h2-5,7,11,15-16H,6,14H2,1H3,(H,17,18)/t7-,11-/m1/s1
InChIKeyJBWBBKSDBPQCII-RDDDGLTNSA-N
XLogP0.73
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15674747
methyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754468
methyl (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
CID 140799629
ethyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride
CID 21179161
2-amino-3-methyl-N'-(1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl)thiazete-4-carbohydrazide
CID 167055305
(3R)-N-[(E)-cyclohexylmethylideneamino]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 171346212
1-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 167067071
(1R,3R)-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 670862
(1S,3S)-N-[(2,4-dichlorophenyl)methylideneamino]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 141400029
(1S,3S)-N-[(E)-(6-hydroxynaphthalen-2-yl)methylideneamino]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 167067067
tert-butyl N-[(2S)-3-hydroxy-1-[2-[(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 53376350
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbaldehyde
CID 174709494

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide?
The IUPAC name of (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide (CID 156772304) is (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide.
What is the SMILES notation for (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide?
The canonical SMILES for (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide is C[C@H]1N[C@@H](C(=O)NN)Cc2c1[nH]c1ccccc21.
What is the InChIKey of (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide?
The InChIKey is JBWBBKSDBPQCII-RDDDGLTNSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-12-9(6-11(15-7)13(18)17-14)8-4-2-3-5-10(8)16-12/h2-5,7,11,15-16H,6,14H2,1H3,(H,17,18)/t7-,11-/m1/s1.
What are the key properties of (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide?
(1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide has a molecular weight of 244.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide is sourced from PubChem (CID 156772304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).