N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine

C12H12N4O3 — CID 62464959

IUPACN-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESCNc1cc(COc2cccnc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H12N4O3/c1-13-11-7-9(4-6-14-11)8-19-10-3-2-5-15-12(10)16(17)18/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRGVASMWXCFZAOV-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine

N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine (PubChem CID 62464959) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
PubChem CID62464959
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESCNc1cc(COc2cccnc2[N+](=O)[O-])ccn1
InChIInChI=1S/C12H12N4O3/c1-13-11-7-9(4-6-14-11)8-19-10-3-2-5-15-12(10)16(17)18/h2-7H,8H2,1H3,(H,13,14)
InChIKeyRGVASMWXCFZAOV-UHFFFAOYSA-N
XLogP2.01
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
CID 55075198
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
2-[2-[[2-(methylamino)-4-pyridinyl]methoxy]phenyl]ethanol
CID 107714081
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
3-methoxy-2-nitropyridine
CID 556063
2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
CID 60526552
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
3-decoxy-2-nitropyridine
CID 152620226
(2-nitro-3-pyridinyl) N-methylcarbamate
CID 45116340
4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
N-methyl-2-nitropyridin-3-amine
CID 555983
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine (CID 62464959) is N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine is CNc1cc(COc2cccnc2[N+](=O)[O-])ccn1.
What is the InChIKey of N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The InChIKey is RGVASMWXCFZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-13-11-7-9(4-6-14-11)8-19-10-3-2-5-15-12(10)16(17)18/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 62464959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).