N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine

C16H19N3O4 — CID 133477676

IUPACN-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
SMILESCOc1cc(Nc2cc(C)c([N+](=O)[O-])cn2)ccc1OC(C)C
InChIInChI=1S/C16H19N3O4/c1-10(2)23-14-6-5-12(8-15(14)22-4)18-16-7-11(3)13(9-17-16)19(20)21/h5-10H,1-4H3,(H,17,18)
InChIKeyBJJBJQLJZLGQJJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.84
Rot. Bonds6

About N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine

N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine (PubChem CID 133477676) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
PubChem CID133477676
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
SMILESCOc1cc(Nc2cc(C)c([N+](=O)[O-])cn2)ccc1OC(C)C
InChIInChI=1S/C16H19N3O4/c1-10(2)23-14-6-5-12(8-15(14)22-4)18-16-7-11(3)13(9-17-16)19(20)21/h5-10H,1-4H3,(H,17,18)
InChIKeyBJJBJQLJZLGQJJ-UHFFFAOYSA-N
XLogP3.84
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
CID 133329764
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
6-chloro-N-(3-methoxy-4-nitrophenyl)pyrimidin-4-amine
CID 169224624
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-methyl-5-nitropyridin-2-amine
CID 133339689
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185
2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine
CID 133477693
N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
CID 133329432
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-4-methyl-5-nitropyridin-2-amine
CID 133385249
3-N-ethyl-3-N-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 133329240

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine (CID 133477676) is N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine is COc1cc(Nc2cc(C)c([N+](=O)[O-])cn2)ccc1OC(C)C.
What is the InChIKey of N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine?
The InChIKey is BJJBJQLJZLGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10(2)23-14-6-5-12(8-15(14)22-4)18-16-7-11(3)13(9-17-16)19(20)21/h5-10H,1-4H3,(H,17,18).
What are the key properties of N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine?
N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133477676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).