[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

C16H16N4O3 — CID 110306395

IUPAC[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1ncccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H16N4O3/c1-18(2)15-13(4-3-8-17-15)16(21)19-9-7-11-5-6-12(20(22)23)10-14(11)19/h3-6,8,10H,7,9H2,1-2H3
InChIKeyBJIHBACTANSSAC-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.26
Rot. Bonds3

About [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 110306395) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID110306395
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1ncccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H16N4O3/c1-18(2)15-13(4-3-8-17-15)16(21)19-9-7-11-5-6-12(20(22)23)10-14(11)19/h3-6,8,10H,7,9H2,1-2H3
InChIKeyBJIHBACTANSSAC-UHFFFAOYSA-N
XLogP2.26
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[2-(dimethylamino)-3-pyridinyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 110301269
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
2,3-dihydroindol-1-yl-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]methanone
CID 133356141
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
CID 71900043
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 60553328
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
CID 52723946

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 110306395) is [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is CN(C)c1ncccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BJIHBACTANSSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-18(2)15-13(4-3-8-17-15)16(21)19-9-7-11-5-6-12(20(22)23)10-14(11)19/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 312.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).