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

C16H20N4O2 — CID 56914454

IUPAC3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1c(C)noc1C)CCNC2
InChIInChI=1S/C16H20N4O2/c1-9-14(13-4-5-17-6-12(13)7-18-9)8-19-16(21)15-10(2)20-22-11(15)3/h7,17H,4-6,8H2,1-3H3,(H,19,21)
InChIKeyMDFPPBITHLIHAT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.57
Rot. Bonds3

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

3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 56914454) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID56914454
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1c(C)noc1C)CCNC2
InChIInChI=1S/C16H20N4O2/c1-9-14(13-4-5-17-6-12(13)7-18-9)8-19-16(21)15-10(2)20-22-11(15)3/h7,17H,4-6,8H2,1-3H3,(H,19,21)
InChIKeyMDFPPBITHLIHAT-UHFFFAOYSA-N
XLogP1.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
CID 118759038
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56916353
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 56886955
(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
CID 56893649
4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56883318
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
CID 70738131
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride
CID 154896503
5,7-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56909513

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 56914454) is 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1ncc2c(c1CNC(=O)c1c(C)noc1C)CCNC2.
What is the InChIKey of 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MDFPPBITHLIHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-14(13-4-5-17-6-12(13)7-18-9)8-19-16(21)15-10(2)20-22-11(15)3/h7,17H,4-6,8H2,1-3H3,(H,19,21).
What are the key properties of 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56914454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).