5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine

C15H17N3O2 — CID 66279610

IUPAC5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
SMILESCc1cnc(NC(C)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O2/c1-11-8-14(18(19)20)15(16-10-11)17-12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,16,17)
InChIKeyBSUQLNNKNNKIEF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.34
Rot. Bonds5

About 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine

5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine (PubChem CID 66279610) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
PubChem CID66279610
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
SMILESCc1cnc(NC(C)Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O2/c1-11-8-14(18(19)20)15(16-10-11)17-12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,16,17)
InChIKeyBSUQLNNKNNKIEF-UHFFFAOYSA-N
XLogP3.34
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.34
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'}

Analyze 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
2,4-dimethyl-5-nitro-N-(1-phenylpropan-2-yl)aniline
CID 104757432
N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
6-N-methyl-5-nitro-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80811228
N-[1-(3-bromophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66280699
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
5-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridin-2-amine
CID 66278508

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine (CID 66279610) is 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine is Cc1cnc(NC(C)Cc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine?
The InChIKey is BSUQLNNKNNKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-14(18(19)20)15(16-10-11)17-12(2)9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine?
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 66279610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).