N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine

C14H14N4O2 — CID 156690039

IUPACN-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine
SMILESCc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H14N4O2/c1-9-2-5-13(18(19)20)14(16-9)17-11-3-4-12-10(8-11)6-7-15-12/h2-5,8,15H,6-7H2,1H3,(H,16,17)
InChIKeyLGKUXTJAIKEGPO-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.01
Rot. Bonds3

About N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine

N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine (PubChem CID 156690039) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine.

Molecular Properties

Compound NameN-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine
PubChem CID156690039
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine
SMILESCc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCN3)n1
InChIInChI=1S/C14H14N4O2/c1-9-2-5-13(18(19)20)14(16-9)17-11-3-4-12-10(8-11)6-7-15-12/h2-5,8,15H,6-7H2,1H3,(H,16,17)
InChIKeyLGKUXTJAIKEGPO-UHFFFAOYSA-N
XLogP3.01
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
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

N-(4-methyl-3-nitrophenyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 63283095
1-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366441
N-(6-methyl-3-nitro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81139353
N-(2,3-dihydro-1H-indol-5-yl)methanesulfonamide;5-nitro-2,3-dihydro-1H-indole
CID 157470076
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
CID 88886091
CID 88886091
5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
CID 67995775
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine?
The IUPAC name of N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine (CID 156690039) is N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine.
What is the SMILES notation for N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine?
The canonical SMILES for N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine is Cc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCN3)n1.
What is the InChIKey of N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine?
The InChIKey is LGKUXTJAIKEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-2-5-13(18(19)20)14(16-9)17-11-3-4-12-10(8-11)6-7-15-12/h2-5,8,15H,6-7H2,1H3,(H,16,17).
What are the key properties of N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine?
N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine has a molecular weight of 270.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine is sourced from PubChem (CID 156690039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).