6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one

C16H15N3O4 — CID 99584557

IUPAC6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(=O)[nH]1
InChIInChI=1S/C16H15N3O4/c1-9-5-12(8-15(20)17-9)16(21)18-10(2)6-11-7-13(19(22)23)3-4-14(11)18/h3-5,7-8,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyJHBVDZRGPWOFQN-SNVBAGLBSA-N
MW313.31 g/mol
LogP2.18
Rot. Bonds2

About 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one

6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one (PubChem CID 99584557) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
PubChem CID99584557
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(=O)[nH]1
InChIInChI=1S/C16H15N3O4/c1-9-5-12(8-15(20)17-9)16(21)18-10(2)6-11-7-13(19(22)23)3-4-14(11)18/h3-5,7-8,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyJHBVDZRGPWOFQN-SNVBAGLBSA-N
XLogP2.18
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56825575
N-[4-(2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide
CID 166403668
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
2-(2-methoxyethoxy)-1-[(2S)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571191
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571183
(4R)-5-acetyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40541667
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 35414080
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
CID 43995791
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one (CID 99584557) is 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JHBVDZRGPWOFQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-5-12(8-15(20)17-9)16(21)18-10(2)6-11-7-13(19(22)23)3-4-14(11)18/h3-5,7-8,10H,6H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one?
6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 313.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 99584557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).