N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide

C28H25N3O3 — CID 74502992

IUPACN-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)C=Cc1ccccc1)CCN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C28H25N3O3/c1-19-24(17-30-27(32)12-11-20-7-3-2-4-8-20)23-13-14-31(18-22(23)16-29-19)28(33)26-15-21-9-5-6-10-25(21)34-26/h2-12,15-16H,13-14,17-18H2,1H3,(H,30,32)
InChIKeyIKRVWEHSEJQVLZ-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.66
Rot. Bonds5

About N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide

N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 74502992) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
PubChem CID74502992
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)C=Cc1ccccc1)CCN(C(=O)c1cc3ccccc3o1)C2
InChIInChI=1S/C28H25N3O3/c1-19-24(17-30-27(32)12-11-20-7-3-2-4-8-20)23-13-14-31(18-22(23)16-29-19)28(33)26-15-21-9-5-6-10-25(21)34-26/h2-12,15-16H,13-14,17-18H2,1H3,(H,30,32)
InChIKeyIKRVWEHSEJQVLZ-UHFFFAOYSA-N
XLogP4.66
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
CID 45231173
(2R)-N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42480367
(E)-N-[[3-methyl-7-(2-pyrrolidin-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 42432655
(E)-N-[[7-(4-acetylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42378243
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74807639
(E)-3-(2-fluorophenyl)-N-[[3-methyl-7-(1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop-2-enamide
CID 42319199
N-[[3-methyl-7-[3-(pyrazol-1-ylmethyl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74497078
N-[[7-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 26282114
N-[[3-methyl-7-[(E)-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
CID 126465649
N-[[7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42358044
N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
CID 25295566
(2S)-2-methoxy-N-[[3-methyl-7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
CID 26335277

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide (CID 74502992) is N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide is Cc1ncc2c(c1CNC(=O)C=Cc1ccccc1)CCN(C(=O)c1cc3ccccc3o1)C2.
What is the InChIKey of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is IKRVWEHSEJQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-19-24(17-30-27(32)12-11-20-7-3-2-4-8-20)23-13-14-31(18-22(23)16-29-19)28(33)26-15-21-9-5-6-10-25(21)34-26/h2-12,15-16H,13-14,17-18H2,1H3,(H,30,32).
What are the key properties of N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide?
N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 451.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 74502992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).