1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one

C14H12N4O3 — CID 62466164

IUPAC1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one
SMILESNc1ncccc1CN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O3/c15-14-9(2-1-5-16-14)8-17-12-4-3-11(18(20)21)6-10(12)7-13(17)19/h1-6H,7-8H2,(H2,15,16)
InChIKeyMPFGTVVXSPVHBR-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one

1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one (PubChem CID 62466164) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one
PubChem CID62466164
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one
SMILESNc1ncccc1CN1C(=O)Cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O3/c15-14-9(2-1-5-16-14)8-17-12-4-3-11(18(20)21)6-10(12)7-13(17)19/h1-6H,7-8H2,(H2,15,16)
InChIKeyMPFGTVVXSPVHBR-UHFFFAOYSA-N
XLogP1.66
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
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

5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
1-(4-chlorobut-2-enyl)-5-nitro-3H-indol-2-one
CID 77051367
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
CID 169265741
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 170748114
14-nitro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one
CID 164853588
3-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
CID 62464746
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
methyl 2-methyl-4-(5-nitro-2-oxo-3H-indol-1-yl)but-2-enoate
CID 77076506
1-benzyl-6-nitro-3,4-dihydroquinazolin-2-one
CID 170748618

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one (CID 62466164) is 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one is Nc1ncccc1CN1C(=O)Cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one?
The InChIKey is MPFGTVVXSPVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-14-9(2-1-5-16-14)8-17-12-4-3-11(18(20)21)6-10(12)7-13(17)19/h1-6H,7-8H2,(H2,15,16).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one?
1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one has a molecular weight of 284.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-5-nitro-3H-indol-2-one is sourced from PubChem (CID 62466164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).