3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide

C21H23N3O2 — CID 68912214

IUPAC3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
SMILESCCc1c(C(C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-16-17-7-5-6-8-18(17)26-21(16)14(2)24(3)20(25)12-10-15-9-11-19(22)23-13-15/h5-14H,4H2,1-3H3,(H2,22,23)
InChIKeyKMFSKNKVMPXULQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.21
Rot. Bonds5

About 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide

3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide (PubChem CID 68912214) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
PubChem CID68912214
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
SMILESCCc1c(C(C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-4-16-17-7-5-6-8-18(17)26-21(16)14(2)24(3)20(25)12-10-15-9-11-19(22)23-13-15/h5-14H,4H2,1-3H3,(H2,22,23)
InChIKeyKMFSKNKVMPXULQ-UHFFFAOYSA-N
XLogP4.21
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.21
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

3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
CID 91199817
(E)-3-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[(1R)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 23657957
3-(3,3-dimethyl-4-oxo-2,5-dihydropyrido[3,2-b][1,4]oxazepin-8-yl)-N-[(1R)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 91095341
(E)-3-(6-amino-3-pyridinyl)-N-[1-(1H-indol-3-yl)ethyl]-N-methylprop-2-enamide
CID 22593705
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]prop-2-enamide
CID 66780654
3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
CID 142907224
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
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
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
CID 64812611
(E)-N-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methyl-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide;hydrochloride
CID 16659824

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide (CID 68912214) is 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide is CCc1c(C(C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide?
The InChIKey is KMFSKNKVMPXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-16-17-7-5-6-8-18(17)26-21(16)14(2)24(3)20(25)12-10-15-9-11-19(22)23-13-15/h5-14H,4H2,1-3H3,(H2,22,23).
What are the key properties of 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide?
3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide has a molecular weight of 349.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 68912214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).