N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide

C18H20N4O3 — CID 167902867

IUPACN-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCC1c2ccccc2CN1C(=O)Nc1ccc(=O)n(CC(N)=O)c1
InChIInChI=1S/C18H20N4O3/c1-2-15-14-6-4-3-5-12(14)9-22(15)18(25)20-13-7-8-17(24)21(10-13)11-16(19)23/h3-8,10,15H,2,9,11H2,1H3,(H2,19,23)(H,20,25)
InChIKeyMBHJKYSFQWULGH-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.83
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide

N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 167902867) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
PubChem CID167902867
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCC1c2ccccc2CN1C(=O)Nc1ccc(=O)n(CC(N)=O)c1
InChIInChI=1S/C18H20N4O3/c1-2-15-14-6-4-3-5-12(14)9-22(15)18(25)20-13-7-8-17(24)21(10-13)11-16(19)23/h3-8,10,15H,2,9,11H2,1H3,(H2,19,23)(H,20,25)
InChIKeyMBHJKYSFQWULGH-UHFFFAOYSA-N
XLogP1.83
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-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

N-[3-(aminomethyl)-5-methylphenyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide
CID 136570349
(3S)-3-[(2S)-butan-2-yl]-N-[1-(cyclopropylmethyl)-6-oxo-3-pyridinyl]-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 163292552
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
CID 86951744
(1R)-N-(4-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 1478942
(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96549151
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-(2-methyl-1,3-dihydroinden-2-yl)urea
CID 75438824
N-(4-cyanophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
CID 66067199
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
N-[[4-(1-ethyl-1,3-dihydroisoindole-2-carbonyl)phenyl]methyl]prop-2-enamide
CID 166411170
ethyl 2-[2-[(3,5-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 46274624
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide (CID 167902867) is N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide is CCC1c2ccccc2CN1C(=O)Nc1ccc(=O)n(CC(N)=O)c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is MBHJKYSFQWULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-15-14-6-4-3-5-12(14)9-22(15)18(25)20-13-7-8-17(24)21(10-13)11-16(19)23/h3-8,10,15H,2,9,11H2,1H3,(H2,19,23)(H,20,25).
What are the key properties of N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)-6-oxo-3-pyridinyl]-1-ethyl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 167902867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).