N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide

C24H29N3O2 — CID 126465649

IUPACN-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C24H29N3O2/c1-18-22(16-26-24(28)23-10-6-14-29-23)21-11-13-27(17-20(21)15-25-18)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,23H,6,10-14,16-17H2,1H3,(H,26,28)/b9-5+
InChIKeyVSMICANBWMFHHQ-WEVVVXLNSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds6

About N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide

N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 126465649) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID126465649
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C/C=C/c1ccccc1)C2
InChIInChI=1S/C24H29N3O2/c1-18-22(16-26-24(28)23-10-6-14-29-23)21-11-13-27(17-20(21)15-25-18)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,23H,6,10-14,16-17H2,1H3,(H,26,28)/b9-5+
InChIKeyVSMICANBWMFHHQ-WEVVVXLNSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide (CID 126465649) is N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide is Cc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C/C=C/c1ccccc1)C2.
What is the InChIKey of N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is VSMICANBWMFHHQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-22(16-26-24(28)23-10-6-14-29-23)21-11-13-27(17-20(21)15-25-18)12-5-9-19-7-3-2-4-8-19/h2-5,7-9,15,23H,6,10-14,16-17H2,1H3,(H,26,28)/b9-5+.
What are the key properties of N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 126465649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).