ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine

C23H35N5O2 — CID 144795228

IUPACethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
SMILESCC.CC.[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2(C)CC2)ncc1N
InChIInChI=1S/C19H23N5O2.2C2H6/c1-19(3-4-19)26-17-11-14(15(20)12-23-17)18(21)13-2-5-22-16(10-13)24-6-8-25-9-7-24;2*1-2/h2,5,10-12,21H,3-4,6-9,20H2,1H3;2*1-2H3/b21-18+;;
InChIKeyJGQSGNRRCVEWOQ-GQKUHHGYSA-N
MW413.57 g/mol
LogP4.30
Rot. Bonds5

About ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine

ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine (PubChem CID 144795228) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine.

Molecular Properties

Compound Nameethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
PubChem CID144795228
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Nameethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
SMILESCC.CC.[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2(C)CC2)ncc1N
InChIInChI=1S/C19H23N5O2.2C2H6/c1-19(3-4-19)26-17-11-14(15(20)12-23-17)18(21)13-2-5-22-16(10-13)24-6-8-25-9-7-24;2*1-2/h2,5,10-12,21H,3-4,6-9,20H2,1H3;2*1-2H3/b21-18+;;
InChIKeyJGQSGNRRCVEWOQ-GQKUHHGYSA-N
XLogP4.30
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.30
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

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
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
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1,3-oxazol-2-yl)aniline
CID 144697869
6-methoxy-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795332
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749
molecular hydrogen;2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(oxetan-3-yloxy)aniline
CID 144695104
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
CID 131969524
4-(4-methoxy-6-methylpyrimidin-5-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline;molecular hydrogen
CID 144697815
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 ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine?
The IUPAC name of ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine (CID 144795228) is ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine.
What is the SMILES notation for ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine?
The canonical SMILES for ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine is CC.CC.[H]/N=C(\c1ccnc(N2CCOCC2)c1)c1cc(OC2(C)CC2)ncc1N.
What is the InChIKey of ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine?
The InChIKey is JGQSGNRRCVEWOQ-GQKUHHGYSA-N. The full InChI is InChI=1S/C19H23N5O2.2C2H6/c1-19(3-4-19)26-17-11-14(15(20)12-23-17)18(21)13-2-5-22-16(10-13)24-6-8-25-9-7-24;2*1-2/h2,5,10-12,21H,3-4,6-9,20H2,1H3;2*1-2H3/b21-18+;;.
What are the key properties of ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine?
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine has a molecular weight of 413.57 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine is sourced from PubChem (CID 144795228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).