(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

C23H26N6OS — CID 146556208

About (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 146556208) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
• PubChem CID: 146556208
• Molecular Formula: C23H26N6OS
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.19
• IUPAC Name: (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
• SMILES: [H]/N=C/C=C(\N)c1nccc2c(-c3ccc(SC)nc3C)cc(N3CCOC[C@H]3C)nc12
• InChI: InChI=1S/C23H26N6OS/c1-14-13-30-11-10-29(14)20-12-18(16-4-5-21(31-3)27-15(16)2)17-7-9-26-23(22(17)28-20)19(25)6-8-24/h4-9,12,14,24H,10-11,13,25H2,1-3H3/b19-6-,24-8+/t14-/m1/s1
• InChIKey: QPVKRGLAOKIHFF-HFZUAHOISA-N
• XLogP: 3.90
• TPSA: 101.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The IUPAC name of (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 146556208) is (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

What is the SMILES notation for (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The canonical SMILES for (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(-c3ccc(SC)nc3C)cc(N3CCOC[C@H]3C)nc12.

What is the InChIKey of (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The InChIKey is QPVKRGLAOKIHFF-HFZUAHOISA-N. The full InChI is InChI=1S/C23H26N6OS/c1-14-13-30-11-10-29(14)20-12-18(16-4-5-21(31-3)27-15(16)2)17-7-9-26-23(22(17)28-20)19(25)6-8-24/h4-9,12,14,24H,10-11,13,25H2,1-3H3/b19-6-,24-8+/t14-/m1/s1.

What are the key properties of (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

(Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 434.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-imino-1-[4-(2-methyl-6-methylsulfanyl-3-pyridinyl)-2-[(3R)-3-methylmorpholin-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 146556208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).