N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine

C16H19N3O3 — CID 133384169

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O3/c1-4-18(11-13-5-7-14(22-3)8-6-13)16-15(19(20)21)9-12(2)10-17-16/h5-10H,4,11H2,1-3H3
InChIKeyTYYAWILOLQFHDR-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.33
Rot. Bonds6

About N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine

N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine (PubChem CID 133384169) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
PubChem CID133384169
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O3/c1-4-18(11-13-5-7-14(22-3)8-6-13)16-15(19(20)21)9-12(2)10-17-16/h5-10H,4,11H2,1-3H3
InChIKeyTYYAWILOLQFHDR-UHFFFAOYSA-N
XLogP3.33
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
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'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 114900555
N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
2-[ethyl-(5-methyl-3-nitro-2-pyridinyl)amino]-1-(4-methylphenyl)ethanol
CID 133356857
2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
CID 66280014
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
butane;ethane;N-ethyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline;propane
CID 142550072
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
6-methoxy-3-methyl-8-nitroquinoline
CID 612677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine (CID 133384169) is N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine is CCN(Cc1ccc(OC)cc1)c1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine?
The InChIKey is TYYAWILOLQFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-18(11-13-5-7-14(22-3)8-6-13)16-15(19(20)21)9-12(2)10-17-16/h5-10H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine?
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 133384169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).