3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine

C14H15N3O2 — CID 62478044

IUPAC3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-11-9-13(17(18)19)10-16-14(11)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyLKKIWLLZTPGUGT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds5

About 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine

3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 62478044) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
PubChem CID62478044
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-11-9-13(17(18)19)10-16-14(11)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyLKKIWLLZTPGUGT-UHFFFAOYSA-N
XLogP2.95
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
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

N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-5-nitropyridin-2-amine
CID 71996114
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 62950842
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 63237716
3-methyl-5-nitro-N-[(1-phenylsulfanylcyclopropyl)methyl]pyridin-2-amine
CID 133296922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine (CID 62478044) is 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCCc1ccccc1.
What is the InChIKey of 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is LKKIWLLZTPGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11-9-13(17(18)19)10-16-14(11)15-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,15,16).
What are the key properties of 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine?
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 62478044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).