3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide

C19H19N5O3S — CID 155911299

IUPAC3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cnc2c(c1)CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C19H19N5O3S/c1-11-17(12(2)27-23-11)18(25)21-7-13-5-14-8-24(4-3-15(14)20-6-13)19(26)16-9-28-10-22-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,25)
InChIKeyAGSCWTFONYUBGZ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.27
Rot. Bonds4

About 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 155911299) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID155911299
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cnc2c(c1)CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C19H19N5O3S/c1-11-17(12(2)27-23-11)18(25)21-7-13-5-14-8-24(4-3-15(14)20-6-13)19(26)16-9-28-10-22-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,25)
InChIKeyAGSCWTFONYUBGZ-UHFFFAOYSA-N
XLogP2.27
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
CID 155916991
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 134034104
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 71533637
N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
CID 155916239
N-[[6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]acetamide
CID 155911052
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 154747915
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide (CID 155911299) is 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cnc2c(c1)CN(C(=O)c1cscn1)CC2.
What is the InChIKey of 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AGSCWTFONYUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-11-17(12(2)27-23-11)18(25)21-7-13-5-14-8-24(4-3-15(14)20-6-13)19(26)16-9-28-10-22-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,25).
What are the key properties of 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[6-(1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155911299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).