4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine

C20H20N6O — CID 144795261

IUPAC4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CCC2)c1)c1cc(-c2cnccc2OC)ncc1N
InChIInChI=1S/C20H20N6O/c1-27-18-4-5-23-11-15(18)17-10-14(16(21)12-25-17)20(22)13-3-6-24-19(9-13)26-7-2-8-26/h3-6,9-12,22H,2,7-8,21H2,1H3/b22-20+
InChIKeyKJASSNCJHIOZJV-LSDHQDQOSA-N
MW360.42 g/mol
LogP2.76
Rot. Bonds5

About 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine

4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine (PubChem CID 144795261) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
PubChem CID144795261
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CCC2)c1)c1cc(-c2cnccc2OC)ncc1N
InChIInChI=1S/C20H20N6O/c1-27-18-4-5-23-11-15(18)17-10-14(16(21)12-25-17)20(22)13-3-6-24-19(9-13)26-7-2-8-26/h3-6,9-12,22H,2,7-8,21H2,1H3/b22-20+
InChIKeyKJASSNCJHIOZJV-LSDHQDQOSA-N
XLogP2.76
TPSA101.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.76
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-(2-fluoro-4-methoxy-3-pyridinyl)-2-[2-(4-methylsulfinylpiperazin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697842
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
4-(1-amino-3-methyliminoprop-1-en-2-yl)-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 153099789
4-(5-methoxypyrimidin-2-yl)-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 123710007
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
CID 144795250
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
4-cyclopropyloxy-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697454
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine (CID 144795261) is 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine is [H]/N=C(\c1ccnc(N2CCC2)c1)c1cc(-c2cnccc2OC)ncc1N.
What is the InChIKey of 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine?
The InChIKey is KJASSNCJHIOZJV-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H20N6O/c1-27-18-4-5-23-11-15(18)17-10-14(16(21)12-25-17)20(22)13-3-6-24-19(9-13)26-7-2-8-26/h3-6,9-12,22H,2,7-8,21H2,1H3/b22-20+.
What are the key properties of 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine?
4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine has a molecular weight of 360.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 144795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).