(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide

C19H22N2O2 — CID 99894138

IUPAC(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide
SMILESCOc1ccccc1/C(C)=C\C(=O)N(C)[C@H](C)c1cccnc1
InChIInChI=1S/C19H22N2O2/c1-14(17-9-5-6-10-18(17)23-4)12-19(22)21(3)15(2)16-8-7-11-20-13-16/h5-13,15H,1-4H3/b14-12-/t15-/m1/s1
InChIKeyHVUURXHYCOOGLZ-IKESIWSLSA-N
MW310.40 g/mol
LogP3.71
Rot. Bonds5

About (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide

(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide (PubChem CID 99894138) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide
PubChem CID99894138
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide
SMILESCOc1ccccc1/C(C)=C\C(=O)N(C)[C@H](C)c1cccnc1
InChIInChI=1S/C19H22N2O2/c1-14(17-9-5-6-10-18(17)23-4)12-19(22)21(3)15(2)16-8-7-11-20-13-16/h5-13,15H,1-4H3/b14-12-/t15-/m1/s1
InChIKeyHVUURXHYCOOGLZ-IKESIWSLSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-(1-pyridin-3-ylethyl)prop-2-enamide
CID 60597595
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
CID 124614857
(E)-4-(dimethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)but-2-enamide
CID 146076991
2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 95625463
2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 95625466
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
1-(4-methoxyphenyl)-N-methyl-N-(1-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 56745365
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
3-(4-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97138639

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide (CID 99894138) is (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide is COc1ccccc1/C(C)=C\C(=O)N(C)[C@H](C)c1cccnc1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide?
The InChIKey is HVUURXHYCOOGLZ-IKESIWSLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14(17-9-5-6-10-18(17)23-4)12-19(22)21(3)15(2)16-8-7-11-20-13-16/h5-13,15H,1-4H3/b14-12-/t15-/m1/s1.
What are the key properties of (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide?
(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide is sourced from PubChem (CID 99894138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).