N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine

C14H16N4O3 — CID 82736234

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1cccnc1CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c1-3-10-5-4-8-15-11(10)9-16-14-12(18(19)20)6-7-13(17-14)21-2/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyICERLQUVTBWIHG-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.57
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine

N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 82736234) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID82736234
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1cccnc1CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c1-3-10-5-4-8-15-11(10)9-16-14-12(18(19)20)6-7-13(17-14)21-2/h4-8H,3,9H2,1-2H3,(H,16,17)
InChIKeyICERLQUVTBWIHG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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

6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
1-N-[(3-ethyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749506
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 79883840
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine (CID 82736234) is N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine is CCc1cccnc1CNc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is ICERLQUVTBWIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-10-5-4-8-15-11(10)9-16-14-12(18(19)20)6-7-13(17-14)21-2/h4-8H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 82736234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).