(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide

C20H22N4O2 — CID 87752450

IUPAC(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3C/C(=N\OC)CN3)ccc21
InChIInChI=1S/C20H22N4O2/c1-3-24-18-7-5-4-6-15(18)16-10-13(8-9-19(16)24)22-20(25)17-11-14(12-21-17)23-26-2/h4-10,17,21H,3,11-12H2,1-2H3,(H,22,25)/b23-14+/t17-/m0/s1
InChIKeyPCZXZFXPPMCQFU-QIWJOQEQSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds4

About (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide

(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide (PubChem CID 87752450) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide
PubChem CID87752450
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H]3C/C(=N\OC)CN3)ccc21
InChIInChI=1S/C20H22N4O2/c1-3-24-18-7-5-4-6-15(18)16-10-13(8-9-19(16)24)22-20(25)17-11-14(12-21-17)23-26-2/h4-10,17,21H,3,11-12H2,1-2H3,(H,22,25)/b23-14+/t17-/m0/s1
InChIKeyPCZXZFXPPMCQFU-QIWJOQEQSA-N
XLogP3.12
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
CID 22223551
(2S)-N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725521
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
N-(9-ethylcarbazol-3-yl)-1-(2-methoxyacetyl)-4-phenylmethoxyiminopyrrolidine-2-carboxamide
CID 131737531
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120782901
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
(2S,4Z)-N-(9-ethylcarbazol-3-yl)-4-methoxyimino-1-(2-oxo-6-pentylpyran-3-carbonyl)pyrrolidine-2-carboxamide
CID 87752363
(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917345

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide (CID 87752450) is (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C/C(=N\OC)CN3)ccc21.
What is the InChIKey of (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide?
The InChIKey is PCZXZFXPPMCQFU-QIWJOQEQSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-24-18-7-5-4-6-15(18)16-10-13(8-9-19(16)24)22-20(25)17-11-14(12-21-17)23-26-2/h4-10,17,21H,3,11-12H2,1-2H3,(H,22,25)/b23-14+/t17-/m0/s1.
What are the key properties of (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide?
(2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-N-(9-ethylcarbazol-3-yl)-4-methoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 87752450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).