6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C19H20N6O2 — CID 78127412

IUPAC6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(C=CC(=O)N3CC=C(Cn4cncn4)CC3)cnc2N1
InChIInChI=1S/C19H20N6O2/c26-17-3-2-16-9-15(10-21-19(16)23-17)1-4-18(27)24-7-5-14(6-8-24)11-25-13-20-12-22-25/h1,4-5,9-10,12-13H,2-3,6-8,11H2,(H,21,23,26)
InChIKeyCNVQQWBKWWJNCK-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.43
Rot. Bonds4

About 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 78127412) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID78127412
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(C=CC(=O)N3CC=C(Cn4cncn4)CC3)cnc2N1
InChIInChI=1S/C19H20N6O2/c26-17-3-2-16-9-15(10-21-19(16)23-17)1-4-18(27)24-7-5-14(6-8-24)11-25-13-20-12-22-25/h1,4-5,9-10,12-13H,2-3,6-8,11H2,(H,21,23,26)
InChIKeyCNVQQWBKWWJNCK-UHFFFAOYSA-N
XLogP1.43
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

[1-[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 78127681
6-[3-[4-[(1-methylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 78127460
6-[3-[4-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 78127976
6-[3-(azetidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 70926898
6-[(E)-3-[4-[(3-chlorothiophen-2-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71598783
6-[3-[4-[(2-methoxy-4-methylphenoxy)methyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 154047960
6-[(E)-3-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71599403
N'-hydroxy-2-[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]ethanimidamide
CID 71599062
6-[(E)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71261728
6-[(E)-3-[5-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-2,3,4,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 144525727
6-[(E)-3-[5-(2,3-dichlorophenyl)-2,3,4,7-tetrahydroazepin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71262394
4-[[4-[1-[(E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methoxy]benzonitrile
CID 71599065

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 78127412) is 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(C=CC(=O)N3CC=C(Cn4cncn4)CC3)cnc2N1.
What is the InChIKey of 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CNVQQWBKWWJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17-3-2-16-9-15(10-21-19(16)23-17)1-4-18(27)24-7-5-14(6-8-24)11-25-13-20-12-22-25/h1,4-5,9-10,12-13H,2-3,6-8,11H2,(H,21,23,26).
What are the key properties of 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 78127412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).