molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline

C19H24N4O3 — CID 144695104

IUPACmolecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2COC2)ccc1N.[H][H]
InChIInChI=1S/C19H22N4O3.H2/c20-17-2-1-14(26-15-11-25-12-15)10-16(17)19(21)13-3-4-22-18(9-13)23-5-7-24-8-6-23;/h1-4,9-10,15,21H,5-8,11-12,20H2;1H/b21-19+;
InChIKeyFZNPRQHVDALQKB-UXJRWBAGSA-N
MW356.43 g/mol
LogP1.94
Rot. Bonds5

About molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline

molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline (PubChem CID 144695104) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline.

Molecular Properties

Compound Namemolecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
PubChem CID144695104
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemolecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2COC2)ccc1N.[H][H]
InChIInChI=1S/C19H22N4O3.H2/c20-17-2-1-14(26-15-11-25-12-15)10-16(17)19(21)13-3-4-22-18(9-13)23-5-7-24-8-6-23;/h1-4,9-10,15,21H,5-8,11-12,20H2;1H/b21-19+;
InChIKeyFZNPRQHVDALQKB-UXJRWBAGSA-N
XLogP1.94
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.94
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

4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
CID 144697815
4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
CID 123668060
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
4-cyclopropyloxy-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697454
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline?
The IUPAC name of molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline (CID 144695104) is molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline.
What is the SMILES notation for molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline?
The canonical SMILES for molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2COC2)ccc1N.[H][H].
What is the InChIKey of molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline?
The InChIKey is FZNPRQHVDALQKB-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H22N4O3.H2/c20-17-2-1-14(26-15-11-25-12-15)10-16(17)19(21)13-3-4-22-18(9-13)23-5-7-24-8-6-23;/h1-4,9-10,15,21H,5-8,11-12,20H2;1H/b21-19+;.
What are the key properties of molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline?
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline has a molecular weight of 356.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline is sourced from PubChem (CID 144695104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).