2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide

C24H22N6O4 — CID 118309220

IUPAC2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
SMILESCC(C)(C(N)=O)c1cncc(Nc2cc(COc3ccc([N+](=O)[O-])c4ccccc34)ccn2)n1
InChIInChI=1S/C24H22N6O4/c1-24(2,23(25)31)20-12-26-13-22(28-20)29-21-11-15(9-10-27-21)14-34-19-8-7-18(30(32)33)16-5-3-4-6-17(16)19/h3-13H,14H2,1-2H3,(H2,25,31)(H,27,28,29)
InChIKeyZZOWKHZTWMWUHR-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.02
Rot. Bonds8

About 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide

2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide (PubChem CID 118309220) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
PubChem CID118309220
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
SMILESCC(C)(C(N)=O)c1cncc(Nc2cc(COc3ccc([N+](=O)[O-])c4ccccc34)ccn2)n1
InChIInChI=1S/C24H22N6O4/c1-24(2,23(25)31)20-12-26-13-22(28-20)29-21-11-15(9-10-27-21)14-34-19-8-7-18(30(32)33)16-5-3-4-6-17(16)19/h3-13H,14H2,1-2H3,(H2,25,31)(H,27,28,29)
InChIKeyZZOWKHZTWMWUHR-UHFFFAOYSA-N
XLogP4.02
TPSA146.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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,N-dimethyl-5-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazine-2-carboxamide;5-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazine-2-carboxylic acid
CID 160730087
N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine
CID 118305959
N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine
CID 123408134
2-(4-nitronaphthalen-1-yl)oxyacetamide
CID 55225970
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317548
1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317551
N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
CID 67451741
1-[4-[2-(4-nitronaphthalen-1-yl)oxyethyl]-2-pyridinyl]propan-2-one
CID 158727588
2-chloro-4-[(4-methylnaphthalen-1-yl)oxymethyl]pyridine;6-ethyl-N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine;5-ethylpyridin-3-amine
CID 157053971
carboxy-[4-[(4-nitronaphthalen-1-yl)oxymethyl]-3-pyridinyl]carbamic acid
CID 67236091
1-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]-3-[2-(4-methylphenyl)-5-oxo-1H-pyrazol-3-yl]urea
CID 129303982
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide?
The IUPAC name of 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide (CID 118309220) is 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide is CC(C)(C(N)=O)c1cncc(Nc2cc(COc3ccc([N+](=O)[O-])c4ccccc34)ccn2)n1.
What is the InChIKey of 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide?
The InChIKey is ZZOWKHZTWMWUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c1-24(2,23(25)31)20-12-26-13-22(28-20)29-21-11-15(9-10-27-21)14-34-19-8-7-18(30(32)33)16-5-3-4-6-17(16)19/h3-13H,14H2,1-2H3,(H2,25,31)(H,27,28,29).
What are the key properties of 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide?
2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide has a molecular weight of 458.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide is sourced from PubChem (CID 118309220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).