1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid

C23H28N4O3S — CID 142916378

IUPAC1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(CCCc2ccc3c(n2)NCCC3)n1.O=c1cccc[nH]1
InChIInChI=1S/C18H23N3O2S.C5H5NO/c22-17(23)8-2-6-15-12-24-16(20-15)7-1-5-14-10-9-13-4-3-11-19-18(13)21-14;7-5-3-1-2-4-6-5/h9-10,12H,1-8,11H2,(H,19,21)(H,22,23);1-4H,(H,6,7)
InChIKeyYADKVXNDJLVOTI-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.85
Rot. Bonds8

About 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid

1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 142916378) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
PubChem CID142916378
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(CCCc2ccc3c(n2)NCCC3)n1.O=c1cccc[nH]1
InChIInChI=1S/C18H23N3O2S.C5H5NO/c22-17(23)8-2-6-15-12-24-16(20-15)7-1-5-14-10-9-13-4-3-11-19-18(13)21-14;7-5-3-1-2-4-6-5/h9-10,12H,1-8,11H2,(H,19,21)(H,22,23);1-4H,(H,6,7)
InChIKeyYADKVXNDJLVOTI-UHFFFAOYSA-N
XLogP3.85
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
(3S)-3-(6-oxo-1H-pyridin-3-yl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
CID 10252594
3-(1,3-benzodioxol-5-yl)-4-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]butanoic acid
CID 10226804
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
(3R)-3-[6-(dimethylamino)-3-pyridinyl]-3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134499392
4-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 10279630
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
3-(6-oxo-1H-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 10207030
benzene;3-(methylamino)propanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 165121942
3-[3-tert-butyl-5-[1-(difluoromethyl)cyclopropyl]phenyl]-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
CID 153388810
3-[[3-amino-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hex-2-enylidene]amino]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
CID 147051117
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097

Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid (CID 142916378) is 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(CCCc2ccc3c(n2)NCCC3)n1.O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is YADKVXNDJLVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.C5H5NO/c22-17(23)8-2-6-15-12-24-16(20-15)7-1-5-14-10-9-13-4-3-11-19-18(13)21-14;7-5-3-1-2-4-6-5/h9-10,12H,1-8,11H2,(H,19,21)(H,22,23);1-4H,(H,6,7).
What are the key properties of 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid?
1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 440.57 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one;4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 142916378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).