N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide

C19H23N3O — CID 74659842

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(c1ccc(NC(=O)C=Cc2cccnc2)cc1)C(C)C
InChIInChI=1S/C19H23N3O/c1-4-22(15(2)3)18-10-8-17(9-11-18)21-19(23)12-7-16-6-5-13-20-14-16/h5-15H,4H2,1-3H3,(H,21,23)
InChIKeySKZVOAFSMHMESO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 74659842) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID74659842
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCN(c1ccc(NC(=O)C=Cc2cccnc2)cc1)C(C)C
InChIInChI=1S/C19H23N3O/c1-4-22(15(2)3)18-10-8-17(9-11-18)21-19(23)12-7-16-6-5-13-20-14-16/h5-15H,4H2,1-3H3,(H,21,23)
InChIKeySKZVOAFSMHMESO-UHFFFAOYSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
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

(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 7892131
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551622
N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978968
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275
(E)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 171152896
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(E)-3-(2,3-dimethoxyphenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551635
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide (CID 74659842) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide is CCN(c1ccc(NC(=O)C=Cc2cccnc2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is SKZVOAFSMHMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-22(15(2)3)18-10-8-17(9-11-18)21-19(23)12-7-16-6-5-13-20-14-16/h5-15H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 74659842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).