4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

C13H15N3O2S — CID 79176131

IUPAC4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)Cc2cccs2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O2S/c1-9-6-13(14-8-12(9)16(17)18)15-10(2)7-11-4-3-5-19-11/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyOIDNZVXRSZPJPA-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (PubChem CID 79176131) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
PubChem CID79176131
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)Cc2cccs2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H15N3O2S/c1-9-6-13(14-8-12(9)16(17)18)15-10(2)7-11-4-3-5-19-11/h3-6,8,10H,7H2,1-2H3,(H,14,15)
InChIKeyOIDNZVXRSZPJPA-UHFFFAOYSA-N
XLogP3.40
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.40
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-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 79174122
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
4-iodo-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 66065714
2-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 112685164
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
3-fluoro-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 63292518
4-methyl-5-nitro-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133329713
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79173859
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133329346
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
CID 79173449

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (CID 79176131) is 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is Cc1cc(NC(C)Cc2cccs2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is OIDNZVXRSZPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-13(14-8-12(9)16(17)18)15-10(2)7-11-4-3-5-19-11/h3-6,8,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 79176131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).