6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine

C23H25N5O4 — CID 174054297

IUPAC6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1cc(OCCN2CCOCC2)ccc1Nc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C23H25N5O4/c29-28(30)21-17-19(32-16-13-27-11-14-31-15-12-27)9-10-20(21)25-23-8-4-7-22(26-23)24-18-5-2-1-3-6-18/h1-10,17H,11-16H2,(H2,24,25,26)
InChIKeyFOPIMNOYBGKSAG-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.19
Rot. Bonds9

About 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine

6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine (PubChem CID 174054297) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine
PubChem CID174054297
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1cc(OCCN2CCOCC2)ccc1Nc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C23H25N5O4/c29-28(30)21-17-19(32-16-13-27-11-14-31-15-12-27)9-10-20(21)25-23-8-4-7-22(26-23)24-18-5-2-1-3-6-18/h1-10,17H,11-16H2,(H2,24,25,26)
InChIKeyFOPIMNOYBGKSAG-UHFFFAOYSA-N
XLogP4.19
TPSA101.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.19
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

[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-3-nitrophenyl]-phenylmethanone
CID 52764738
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone
CID 168991716
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
CID 110172152
2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
CID 48557266
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 14722198
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
2-methyl-5-(3-morpholin-4-ylpropoxy)aniline;4-[3-(4-methyl-3-nitrophenoxy)propyl]morpholine
CID 159360431
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56574077

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine?
The IUPAC name of 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine (CID 174054297) is 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine is O=[N+]([O-])c1cc(OCCN2CCOCC2)ccc1Nc1cccc(Nc2ccccc2)n1.
What is the InChIKey of 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine?
The InChIKey is FOPIMNOYBGKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c29-28(30)21-17-19(32-16-13-27-11-14-31-15-12-27)9-10-20(21)25-23-8-4-7-22(26-23)24-18-5-2-1-3-6-18/h1-10,17H,11-16H2,(H2,24,25,26).
What are the key properties of 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine?
6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine has a molecular weight of 435.48 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine is sourced from PubChem (CID 174054297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).