N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine

C14H16N4O3 — CID 62187468

IUPACN-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-3-15-13-7-5-11(8-16-13)9-21-12-6-4-10(2)17-14(12)18(19)20/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyONEDPOVBGZZTMS-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.70
Rot. Bonds6

About N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine

N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine (PubChem CID 62187468) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
PubChem CID62187468
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-3-15-13-7-5-11(8-16-13)9-21-12-6-4-10(2)17-14(12)18(19)20/h4-8H,3,9H2,1-2H3,(H,15,16)
InChIKeyONEDPOVBGZZTMS-UHFFFAOYSA-N
XLogP2.70
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.70
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'}

Analyze N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
CID 2800220
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 62195386
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
CID 31120011
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823
N-ethyl-5-[(2,3,5-trimethylphenoxy)methyl]pyridin-2-amine
CID 62194827
5-[(2,4-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 64719771
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775255
2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylic acid
CID 60709413
N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine (CID 62187468) is N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine is CCNc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The InChIKey is ONEDPOVBGZZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-15-13-7-5-11(8-16-13)9-21-12-6-4-10(2)17-14(12)18(19)20/h4-8H,3,9H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine?
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 62187468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).