2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide

C21H23N3O2 — CID 172888003

IUPAC2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
SMILESC=CC(=O)N1CCc2ncc(NC(=O)c3ccccc3C(C)C)cc2C1
InChIInChI=1S/C21H23N3O2/c1-4-20(25)24-10-9-19-15(13-24)11-16(12-22-19)23-21(26)18-8-6-5-7-17(18)14(2)3/h4-8,11-12,14H,1,9-10,13H2,2-3H3,(H,23,26)
InChIKeyATGDEBSWABQLGV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.53
Rot. Bonds4

About 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide

2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide (PubChem CID 172888003) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
PubChem CID172888003
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
SMILESC=CC(=O)N1CCc2ncc(NC(=O)c3ccccc3C(C)C)cc2C1
InChIInChI=1S/C21H23N3O2/c1-4-20(25)24-10-9-19-15(13-24)11-16(12-22-19)23-21(26)18-8-6-5-7-17(18)14(2)3/h4-8,11-12,14H,1,9-10,13H2,2-3H3,(H,23,26)
InChIKeyATGDEBSWABQLGV-UHFFFAOYSA-N
XLogP3.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methoxy-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)propanamide
CID 167976133
1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
CID 176827651
N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 172888637
2-(2-oxo-4-prop-2-enoylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 172888877
N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 155918192
5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 70285027
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
1-[7-(4-fluoroanilino)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 166130110
N-(4-propan-2-ylphenyl)-6-prop-2-enoyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 172895624
4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 21196389
1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 69424274

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The IUPAC name of 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide (CID 172888003) is 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide.
What is the SMILES notation for 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The canonical SMILES for 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide is C=CC(=O)N1CCc2ncc(NC(=O)c3ccccc3C(C)C)cc2C1.
What is the InChIKey of 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The InChIKey is ATGDEBSWABQLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-20(25)24-10-9-19-15(13-24)11-16(12-22-19)23-21(26)18-8-6-5-7-17(18)14(2)3/h4-8,11-12,14H,1,9-10,13H2,2-3H3,(H,23,26).
What are the key properties of 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide is sourced from PubChem (CID 172888003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).