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

C16H23N3O2 — CID 118759038

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCOCC1)CCNC2
InChIInChI=1S/C16H23N3O2/c1-11-15(14-2-5-17-8-13(14)9-18-11)10-19-16(20)12-3-6-21-7-4-12/h9,12,17H,2-8,10H2,1H3,(H,19,20)
InChIKeyQEWQKHSOGZGERE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds3

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

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide (PubChem CID 118759038) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
PubChem CID118759038
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCOCC1)CCNC2
InChIInChI=1S/C16H23N3O2/c1-11-15(14-2-5-17-8-13(14)9-18-11)10-19-16(20)12-3-6-21-7-4-12/h9,12,17H,2-8,10H2,1H3,(H,19,20)
InChIKeyQEWQKHSOGZGERE-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide (CID 118759038) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide is Cc1ncc2c(c1CNC(=O)C1CCOCC1)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is QEWQKHSOGZGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-15(14-2-5-17-8-13(14)9-18-11)10-19-16(20)12-3-6-21-7-4-12/h9,12,17H,2-8,10H2,1H3,(H,19,20).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 118759038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).