N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H32N6O4S — CID 137497228

About N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 137497228) has the molecular formula C27H32N6O4S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 137497228
• Molecular Formula: C27H32N6O4S
• Molecular Weight: 536.66 g/mol
• Exact Mass: 536.22
• IUPAC Name: N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC1OCCC1Sc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4C)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H32N6O4S/c1-17-16-36-9-7-32(17)14-20-10-19-4-3-6-33(26(19)30-22(20)15-34)27(35)31-25-11-24(21(12-28)13-29-25)38-23-5-8-37-18(23)2/h10-11,13,15,17-18,23H,3-9,14,16H2,1-2H3,(H,29,31,35)
• InChIKey: FOMMTHBOTUYACJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 120.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.66
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 137497228) is N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC1OCCC1Sc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4C)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is FOMMTHBOTUYACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4S/c1-17-16-36-9-7-32(17)14-20-10-19-4-3-6-33(26(19)30-22(20)15-34)27(35)31-25-11-24(21(12-28)13-29-25)38-23-5-8-37-18(23)2/h10-11,13,15,17-18,23H,3-9,14,16H2,1-2H3,(H,29,31,35).

What are the key properties of N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 137497228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).