3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

C22H20N4O3 — CID 91234982

IUPAC3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
SMILESCc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc2[nH]c(=O)cc(N)c2c1
InChIInChI=1S/C22H20N4O3/c1-13-17(15-5-3-4-6-19(15)29-13)12-26(2)21(28)8-7-14-9-16-18(23)10-20(27)25-22(16)24-11-14/h3-11H,12H2,1-2H3,(H3,23,24,25,27)
InChIKeyVRHFKWDSHAXBLG-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.23
Rot. Bonds4

About 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide

3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide (PubChem CID 91234982) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
PubChem CID91234982
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
SMILESCc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc2[nH]c(=O)cc(N)c2c1
InChIInChI=1S/C22H20N4O3/c1-13-17(15-5-3-4-6-19(15)29-13)12-26(2)21(28)8-7-14-9-16-18(23)10-20(27)25-22(16)24-11-14/h3-11H,12H2,1-2H3,(H3,23,24,25,27)
InChIKeyVRHFKWDSHAXBLG-UHFFFAOYSA-N
XLogP3.23
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 23658182
3-(7-amino-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 165369537
(E)-N-methyl-3-[(7R)-7-(methylamino)-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 166542066
(E)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 10474590
3-(7-amino-7-methyl-8-oxo-6,9-dihydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 175869613
(E)-3-[(3R)-3-(hydroxymethyl)-3-methyl-4-oxo-2,5-dihydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl]-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 146571768
(E)-3-[3-(2-aminoethyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 139490504
N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(8-oxo-7-pyrrolidin-1-yl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)prop-2-enamide
CID 175869610
(E)-3-[7-[(3R)-3-hydroxypyrrolidin-1-yl]-8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide
CID 171482263
(E)-N-[(7-amino-2-methyl-1-benzofuran-3-yl)methyl]-N-methyl-3-[6-(methylamino)-5-(4-oxobutyl)-3-pyridinyl]prop-2-enamide
CID 146609635
(E)-N-[(7-amino-2-methyl-1-benzofuran-3-yl)methyl]-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)-N-methylprop-2-enamide
CID 146571796
(E)-3-(2,2-dimethyl-3-oxo-1,4-dihydropyrido[2,3-b]pyrazin-7-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 146571771

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide (CID 91234982) is 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide is Cc1oc2ccccc2c1CN(C)C(=O)C=Cc1cnc2[nH]c(=O)cc(N)c2c1.
What is the InChIKey of 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide?
The InChIKey is VRHFKWDSHAXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-17(15-5-3-4-6-19(15)29-13)12-26(2)21(28)8-7-14-9-16-18(23)10-20(27)25-22(16)24-11-14/h3-11H,12H2,1-2H3,(H3,23,24,25,27).
What are the key properties of 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide?
3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide has a molecular weight of 388.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(2-methyl-1-benzofuran-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 91234982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).