4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine

C9H13N3O2 — CID 24903132

IUPAC4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCc1ccnc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-6(2)11-9-8(12(13)14)7(3)4-5-10-9/h4-6H,1-3H3,(H,10,11)
InChIKeyYVICBSVEDOWPPU-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine

4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine (PubChem CID 24903132) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
PubChem CID24903132
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
SMILESCc1ccnc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-6(2)11-9-8(12(13)14)7(3)4-5-10-9/h4-6H,1-3H3,(H,10,11)
InChIKeyYVICBSVEDOWPPU-UHFFFAOYSA-N
XLogP2.12
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
N-hex-1-yn-3-yl-4-methyl-3-nitropyridin-2-amine
CID 106231717
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
N-hex-5-yn-3-yl-4-methyl-3-nitropyridin-2-amine
CID 113243931
2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
CID 83026251
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577201
1-[(4-methyl-3-nitro-2-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 81165359

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine (CID 24903132) is 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine is Cc1ccnc(NC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is YVICBSVEDOWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)11-9-8(12(13)14)7(3)4-5-10-9/h4-6H,1-3H3,(H,10,11).
What are the key properties of 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine?
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 195.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 24903132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).