6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C17H24N4O3 — CID 139693213

IUPAC6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(N)cc2c1OC(C)C(=O)N2
InChIInChI=1S/C17H24N4O3/c1-3-21-6-4-5-12(21)9-19-17(23)13-7-11(18)8-14-15(13)24-10(2)16(22)20-14/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyACQYXUHIZRKDKH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.20
Rot. Bonds4

About 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 139693213) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID139693213
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(N)cc2c1OC(C)C(=O)N2
InChIInChI=1S/C17H24N4O3/c1-3-21-6-4-5-12(21)9-19-17(23)13-7-11(18)8-14-15(13)24-10(2)16(22)20-14/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyACQYXUHIZRKDKH-UHFFFAOYSA-N
XLogP1.20
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-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

5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53362046
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94480381
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711907
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 10381344
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 139693213) is 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CCN1CCCC1CNC(=O)c1cc(N)cc2c1OC(C)C(=O)N2.
What is the InChIKey of 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is ACQYXUHIZRKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-21-6-4-5-12(21)9-19-17(23)13-7-11(18)8-14-15(13)24-10(2)16(22)20-14/h7-8,10,12H,3-6,9,18H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 139693213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).