2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline

C19H19N5O2 — CID 144697869

IUPAC2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncco2)ccc1N
InChIInChI=1S/C19H19N5O2/c20-16-2-1-14(19-23-5-8-26-19)11-15(16)18(21)13-3-4-22-17(12-13)24-6-9-25-10-7-24/h1-5,8,11-12,21H,6-7,9-10,20H2/b21-18+
InChIKeyNNZQEFCZRNVAAB-DYTRJAOYSA-N
MW349.39 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline

2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline (PubChem CID 144697869) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
PubChem CID144697869
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncco2)ccc1N
InChIInChI=1S/C19H19N5O2/c20-16-2-1-14(19-23-5-8-26-19)11-15(16)18(21)13-3-4-22-17(12-13)24-6-9-25-10-7-24/h1-5,8,11-12,21H,6-7,9-10,20H2/b21-18+
InChIKeyNNZQEFCZRNVAAB-DYTRJAOYSA-N
XLogP2.57
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
CID 144697815
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
4-[4-amino-3-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)phenyl]benzonitrile
CID 123478180
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline?
The IUPAC name of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline (CID 144697869) is 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2ncco2)ccc1N.
What is the InChIKey of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline?
The InChIKey is NNZQEFCZRNVAAB-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-16-2-1-14(19-23-5-8-26-19)11-15(16)18(21)13-3-4-22-17(12-13)24-6-9-25-10-7-24/h1-5,8,11-12,21H,6-7,9-10,20H2/b21-18+.
What are the key properties of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline?
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline has a molecular weight of 349.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 144697869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).