N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine

C14H12N4O2 — CID 10635585

IUPACN-methyl-5-nitro-N-pyridin-4-ylindol-1-amine
SMILESCN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O2/c1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17/h2-10H,1H3
InChIKeyQVETYJWSBDNUGB-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine

N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine (PubChem CID 10635585) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-pyridin-4-ylindol-1-amine
PubChem CID10635585
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-methyl-5-nitro-N-pyridin-4-ylindol-1-amine
SMILESCN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O2/c1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17/h2-10H,1H3
InChIKeyQVETYJWSBDNUGB-UHFFFAOYSA-N
XLogP2.84
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine?
The IUPAC name of N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine (CID 10635585) is N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine is CN(c1ccncc1)n1ccc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine?
The InChIKey is QVETYJWSBDNUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-16(12-4-7-15-8-5-12)17-9-6-11-10-13(18(19)20)2-3-14(11)17/h2-10H,1H3.
What are the key properties of N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine?
N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine has a molecular weight of 268.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 10635585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).