N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine

C14H16N4O2 — CID 82739931

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCc1cccnc1CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O2/c1-3-11-5-4-6-15-12(11)8-16-14-7-10(2)13(9-17-14)18(19)20/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyNMLUTJAZQACIIK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.87
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine

N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 82739931) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID82739931
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCCc1cccnc1CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O2/c1-3-11-5-4-6-15-12(11)8-16-14-7-10(2)13(9-17-14)18(19)20/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyNMLUTJAZQACIIK-UHFFFAOYSA-N
XLogP2.87
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
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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Related Compounds

4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
1-N-[(3-ethyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749506
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
N-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 82736234
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine (CID 82739931) is N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine is CCc1cccnc1CNc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is NMLUTJAZQACIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-11-5-4-6-15-12(11)8-16-14-7-10(2)13(9-17-14)18(19)20/h4-7,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 82739931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).