(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide

C23H23N3O2 — CID 97196920

IUPAC(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1c1cccc2ccccc12
InChIInChI=1S/C23H23N3O2/c1-16-8-2-4-11-18(16)22(27)24-25-23(28)26-15-7-14-21(26)20-13-6-10-17-9-3-5-12-19(17)20/h2-6,8-13,21H,7,14-15H2,1H3,(H,24,27)(H,25,28)/t21-/m0/s1
InChIKeyBOTKKNJLLPJQLH-NRFANRHFSA-N
MW373.46 g/mol
LogP4.34
Rot. Bonds2

About (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide

(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide (PubChem CID 97196920) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
PubChem CID97196920
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1c1cccc2ccccc12
InChIInChI=1S/C23H23N3O2/c1-16-8-2-4-11-18(16)22(27)24-25-23(28)26-15-7-14-21(26)20-13-6-10-17-9-3-5-12-19(17)20/h2-6,8-13,21H,7,14-15H2,1H3,(H,24,27)(H,25,28)/t21-/m0/s1
InChIKeyBOTKKNJLLPJQLH-NRFANRHFSA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47849269
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
2-naphthalen-1-yl-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 91300262
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95587901
2-(1,4-dihydroxycyclohexyl)-1-(2-naphthalen-1-ylpyrrolidin-1-yl)ethanone
CID 166218782
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide?
The IUPAC name of (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide (CID 97196920) is (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide.
What is the SMILES notation for (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide?
The canonical SMILES for (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1c1cccc2ccccc12.
What is the InChIKey of (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide?
The InChIKey is BOTKKNJLLPJQLH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-8-2-4-11-18(16)22(27)24-25-23(28)26-15-7-14-21(26)20-13-6-10-17-9-3-5-12-19(17)20/h2-6,8-13,21H,7,14-15H2,1H3,(H,24,27)(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide?
(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide has a molecular weight of 373.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide is sourced from PubChem (CID 97196920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).