(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide

C15H19N3O3 — CID 167976133

IUPAC(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide
SMILESC=CC(=O)N1CCc2ncc(NC(=O)[C@H](C)OC)cc2C1
InChIInChI=1S/C15H19N3O3/c1-4-14(19)18-6-5-13-11(9-18)7-12(8-16-13)17-15(20)10(2)21-3/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,17,20)/t10-/m0/s1
InChIKeyCYCTYCAYOYFANG-JTQLQIEISA-N
MW289.34 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide

(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide (PubChem CID 167976133) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide
PubChem CID167976133
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide
SMILESC=CC(=O)N1CCc2ncc(NC(=O)[C@H](C)OC)cc2C1
InChIInChI=1S/C15H19N3O3/c1-4-14(19)18-6-5-13-11(9-18)7-12(8-16-13)17-15(20)10(2)21-3/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,17,20)/t10-/m0/s1
InChIKeyCYCTYCAYOYFANG-JTQLQIEISA-N
XLogP1.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide?
The IUPAC name of (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide (CID 167976133) is (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide?
The canonical SMILES for (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide is C=CC(=O)N1CCc2ncc(NC(=O)[C@H](C)OC)cc2C1.
What is the InChIKey of (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide?
The InChIKey is CYCTYCAYOYFANG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-14(19)18-6-5-13-11(9-18)7-12(8-16-13)17-15(20)10(2)21-3/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide?
(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide is sourced from PubChem (CID 167976133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).