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

C20H21N3O2 — CID 91199817

IUPAC3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
SMILESCc1c([C@@H](C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13-16-6-4-5-7-17(16)25-20(13)14(2)23(3)19(24)11-9-15-8-10-18(21)22-12-15/h4-12,14H,1-3H3,(H2,21,22)/t14-/m1/s1
InChIKeyKVDUFRPEQMFRIQ-CQSZACIVSA-N
MW335.41 g/mol
LogP3.95
Rot. Bonds4

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

3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide (PubChem CID 91199817) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
PubChem CID91199817
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide
SMILESCc1c([C@@H](C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-13-16-6-4-5-7-17(16)25-20(13)14(2)23(3)19(24)11-9-15-8-10-18(21)22-12-15/h4-12,14H,1-3H3,(H2,21,22)/t14-/m1/s1
InChIKeyKVDUFRPEQMFRIQ-CQSZACIVSA-N
XLogP3.95
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.95
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-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylprop-2-enamide
CID 68912214
(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
(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
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
(E)-3-[6-(anilinosulfamoylamino)-3-pyridinyl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 171483048
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778106
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
(E)-3-(6-amino-3-pyridinyl)-N-methyl-N-[(Z)-2-(N-methylanilino)hex-2-enyl]prop-2-enamide
CID 142907224
3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentane-2,4-dione
CID 71740268

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide (CID 91199817) is 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide is Cc1c([C@@H](C)N(C)C(=O)C=Cc2ccc(N)nc2)oc2ccccc12.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is KVDUFRPEQMFRIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-16-6-4-5-7-17(16)25-20(13)14(2)23(3)19(24)11-9-15-8-10-18(21)22-12-15/h4-12,14H,1-3H3,(H2,21,22)/t14-/m1/s1.
What are the key properties of 3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide?
3-(6-amino-3-pyridinyl)-N-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide has a molecular weight of 335.41 g/mol, XLogP of 3.95, 4 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-methyl-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 91199817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).