N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine

C16H20N4O2 — CID 133361606

IUPACN,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCc1nc(NCC(c2ccccc2)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O2/c1-12-14(20(21)22)9-10-16(18-12)17-11-15(19(2)3)13-7-5-4-6-8-13/h4-10,15H,11H2,1-3H3,(H,17,18)
InChIKeyAYZHLQPGOWGCBV-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.01
Rot. Bonds6

About N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine

N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine (PubChem CID 133361606) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
PubChem CID133361606
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCc1nc(NCC(c2ccccc2)N(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O2/c1-12-14(20(21)22)9-10-16(18-12)17-11-15(19(2)3)13-7-5-4-6-8-13/h4-10,15H,11H2,1-3H3,(H,17,18)
InChIKeyAYZHLQPGOWGCBV-UHFFFAOYSA-N
XLogP3.01
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.01
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

N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N,N-dimethyl-N'-(6-nitro-1,3-benzothiazol-2-yl)-1-phenylethane-1,2-diamine
CID 56575945
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-6-nitrobenzonitrile
CID 96997803
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine (CID 133361606) is N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine is Cc1nc(NCC(c2ccccc2)N(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine?
The InChIKey is AYZHLQPGOWGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-14(20(21)22)9-10-16(18-12)17-11-15(19(2)3)13-7-5-4-6-8-13/h4-10,15H,11H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine?
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine has a molecular weight of 300.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 133361606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).