6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C19H20N4OS — CID 86305856

IUPAC6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C4=CCSCC4)c3)cnc21
InChIInChI=1S/C19H20N4OS/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h3,8-12H,1-2,4-7H2,(H2,20,24)
InChIKeyQEHQVDSWBCTPRQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.50
Rot. Bonds2

About 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305856) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305856
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C4=CCSCC4)c3)cnc21
InChIInChI=1S/C19H20N4OS/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h3,8-12H,1-2,4-7H2,(H2,20,24)
InChIKeyQEHQVDSWBCTPRQ-UHFFFAOYSA-N
XLogP3.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305856) is 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(C4=CCSCC4)c3)cnc21.
What is the InChIKey of 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QEHQVDSWBCTPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-19(24)23-5-1-2-14-8-17(12-22-18(14)23)16-9-15(10-21-11-16)13-3-6-25-7-4-13/h3,8-12H,1-2,4-7H2,(H2,20,24).
What are the key properties of 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,6-dihydro-2H-thiopyran-4-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).