2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine

C18H24N4O2 — CID 133329292

IUPAC2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine
SMILESCc1cc(NCC(C)(C)NC(C)c2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H24N4O2/c1-13-10-17(19-11-16(13)22(23)24)20-12-18(3,4)21-14(2)15-8-6-5-7-9-15/h5-11,14,21H,12H2,1-4H3,(H,19,20)
InChIKeyFLFVVSJYGOMHEV-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.84
Rot. Bonds7

About 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine

2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine (PubChem CID 133329292) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine
PubChem CID133329292
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine
SMILESCc1cc(NCC(C)(C)NC(C)c2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H24N4O2/c1-13-10-17(19-11-16(13)22(23)24)20-12-18(3,4)21-14(2)15-8-6-5-7-9-15/h5-11,14,21H,12H2,1-4H3,(H,19,20)
InChIKeyFLFVVSJYGOMHEV-UHFFFAOYSA-N
XLogP3.84
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
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

N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-nitrobenzenesulfonamide
CID 56541434
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-(4-methoxy-2,2-dimethylbutyl)-4-methyl-5-nitropyridin-2-amine
CID 104624078
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133329346
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
4-methyl-5-nitro-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine
CID 95968499
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine (CID 133329292) is 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine is Cc1cc(NCC(C)(C)NC(C)c2ccccc2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The InChIKey is FLFVVSJYGOMHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-17(19-11-16(13)22(23)24)20-12-18(3,4)21-14(2)15-8-6-5-7-9-15/h5-11,14,21H,12H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine has a molecular weight of 328.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)-2-N-(1-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 133329292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).