2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline

C19H20N6O — CID 123496232

IUPAC2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2cn[nH]c2)ccc1N
InChIInChI=1S/C19H20N6O/c20-17-2-1-13(15-11-23-24-12-15)9-16(17)19(21)14-3-4-22-18(10-14)25-5-7-26-8-6-25/h1-4,9-12,21H,5-8,20H2,(H,23,24)/b21-19+
InChIKeyZQHSEQJHUTZMJN-XUTLUUPISA-N
MW348.41 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline

2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline (PubChem CID 123496232) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
PubChem CID123496232
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
SMILES[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2cn[nH]c2)ccc1N
InChIInChI=1S/C19H20N6O/c20-17-2-1-13(15-11-23-24-12-15)9-16(17)19(21)14-3-4-22-18(10-14)25-5-7-26-8-6-25/h1-4,9-12,21H,5-8,20H2,(H,23,24)/b21-19+
InChIKeyZQHSEQJHUTZMJN-XUTLUUPISA-N
XLogP2.31
TPSA103.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1,3-oxazol-2-yl)aniline
CID 144697869
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
CID 144697815
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
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
3-[4-amino-3-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)phenyl]benzonitrile
CID 144694587

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline?
The IUPAC name of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline (CID 123496232) is 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline.
What is the SMILES notation for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline?
The canonical SMILES for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline is [H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(-c2cn[nH]c2)ccc1N.
What is the InChIKey of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline?
The InChIKey is ZQHSEQJHUTZMJN-XUTLUUPISA-N. The full InChI is InChI=1S/C19H20N6O/c20-17-2-1-13(15-11-23-24-12-15)9-16(17)19(21)14-3-4-22-18(10-14)25-5-7-26-8-6-25/h1-4,9-12,21H,5-8,20H2,(H,23,24)/b21-19+.
What are the key properties of 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline?
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline has a molecular weight of 348.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline is sourced from PubChem (CID 123496232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).