5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine

C14H16N4O3 — CID 62195013

IUPAC5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COc2cccnc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-2-7-15-13-6-5-11(9-17-13)10-21-12-4-3-8-16-14(12)18(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,15,17)
InChIKeyCKNBWJFKASHRPU-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.79
Rot. Bonds7

About 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine

5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine (PubChem CID 62195013) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
PubChem CID62195013
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COc2cccnc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-2-7-15-13-6-5-11(9-17-13)10-21-12-4-3-8-16-14(12)18(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,15,17)
InChIKeyCKNBWJFKASHRPU-UHFFFAOYSA-N
XLogP2.79
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.79
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-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62464959
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
3-decoxy-2-nitropyridine
CID 152620226
5-[(4-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62194753
5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine
CID 63484948
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
2-nitro-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyridine
CID 60526552
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 62195386

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine (CID 62195013) is 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine is CCCNc1ccc(COc2cccnc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine?
The InChIKey is CKNBWJFKASHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-7-15-13-6-5-11(9-17-13)10-21-12-4-3-8-16-14(12)18(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,15,17).
What are the key properties of 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine?
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62195013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).