5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine

C13H15N3O2S — CID 66278508

IUPAC5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)c2ccc(C)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O2S/c1-8-6-11(16(17)18)13(14-7-8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyCVNNLRDQPIVFII-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.84
Rot. Bonds4

About 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine

5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 66278508) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID66278508
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)c2ccc(C)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H15N3O2S/c1-8-6-11(16(17)18)13(14-7-8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15)
InChIKeyCVNNLRDQPIVFII-UHFFFAOYSA-N
XLogP3.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.84
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

6-[1-(5-methylthiophen-2-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81447678
N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-[1-(3-bromophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66280699
6-[1-(5-chlorothiophen-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103471427
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
6-N-ethyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80784346
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]-2-nitroaniline
CID 43746610
N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 124886744
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
2,4-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-6-nitroaniline
CID 81310580

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine (CID 66278508) is 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine is Cc1cnc(NC(C)c2ccc(C)s2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is CVNNLRDQPIVFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-6-11(16(17)18)13(14-7-8)15-10(3)12-5-4-9(2)19-12/h4-7,10H,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine?
5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 66278508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).