N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide

C19H23N3O3 — CID 118742120

IUPACN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccco1
InChIInChI=1S/C19H23N3O3/c23-19(18-2-1-6-25-18)21-10-15-8-20-9-16-12-22(5-3-17(15)16)11-14-4-7-24-13-14/h1-2,6,8-9,14H,3-5,7,10-13H2,(H,21,23)
InChIKeyBXVANVBPORBLHW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.00
Rot. Bonds5

About N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide

N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide (PubChem CID 118742120) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
PubChem CID118742120
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccco1
InChIInChI=1S/C19H23N3O3/c23-19(18-2-1-6-25-18)21-10-15-8-20-9-16-12-22(5-3-17(15)16)11-14-4-7-24-13-14/h1-2,6,8-9,14H,3-5,7,10-13H2,(H,21,23)
InChIKeyBXVANVBPORBLHW-UHFFFAOYSA-N
XLogP2.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide (CID 118742120) is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide is O=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccco1.
What is the InChIKey of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is BXVANVBPORBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(18-2-1-6-25-18)21-10-15-8-20-9-16-12-22(5-3-17(15)16)11-14-4-7-24-13-14/h1-2,6,8-9,14H,3-5,7,10-13H2,(H,21,23).
What are the key properties of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide?
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 118742120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).