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

C16H23N3O2 — CID 70738131

IUPAC2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1(C)CCCO1)CCNC2
InChIInChI=1S/C16H23N3O2/c1-11-14(13-4-6-17-8-12(13)9-18-11)10-19-15(20)16(2)5-3-7-21-16/h9,17H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyIXFCDJBURUBPGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds3

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

2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 70738131) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
PubChem CID70738131
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1(C)CCCO1)CCNC2
InChIInChI=1S/C16H23N3O2/c1-11-14(13-4-6-17-8-12(13)9-18-11)10-19-15(20)16(2)5-3-7-21-16/h9,17H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyIXFCDJBURUBPGJ-UHFFFAOYSA-N
XLogP1.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide (CID 70738131) is 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide is Cc1ncc2c(c1CNC(=O)C1(C)CCCO1)CCNC2.
What is the InChIKey of 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is IXFCDJBURUBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-14(13-4-6-17-8-12(13)9-18-11)10-19-15(20)16(2)5-3-7-21-16/h9,17H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide?
2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 70738131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).