3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine

C18H23N5O2 — CID 139566238

IUPAC3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC(C)C)cnc1N
InChIInChI=1S/C18H23N5O2/c1-12(2)25-14-10-15(18(20)22-11-14)17(19)13-3-4-21-16(9-13)23-5-7-24-8-6-23/h3-4,9-12,19H,5-8H2,1-2H3,(H2,20,22)/b19-17+
InChIKeyXKABUTJUOUKJHY-HTXNQAPBSA-N
MW341.42 g/mol
LogP2.10
Rot. Bonds5

About 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine

3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine (PubChem CID 139566238) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
PubChem CID139566238
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC(C)C)cnc1N
InChIInChI=1S/C18H23N5O2/c1-12(2)25-14-10-15(18(20)22-11-14)17(19)13-3-4-21-16(9-13)23-5-7-24-8-6-23/h3-4,9-12,19H,5-8H2,1-2H3,(H2,20,22)/b19-17+
InChIKeyXKABUTJUOUKJHY-HTXNQAPBSA-N
XLogP2.10
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
CID 144795347

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine?
The IUPAC name of 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine (CID 139566238) is 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine?
The canonical SMILES for 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC(C)C)cnc1N.
What is the InChIKey of 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine?
The InChIKey is XKABUTJUOUKJHY-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)25-14-10-15(18(20)22-11-14)17(19)13-3-4-21-16(9-13)23-5-7-24-8-6-23/h3-4,9-12,19H,5-8H2,1-2H3,(H2,20,22)/b19-17+.
What are the key properties of 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine?
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 139566238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).