N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide

C24H33N3O2 — CID 70147774

IUPACN-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccncc2)ccc1OC
InChIInChI=1S/C24H33N3O2/c1-4-16-27(17-5-2)18-6-7-21-19-22(9-10-23(21)29-3)26-24(28)11-8-20-12-14-25-15-13-20/h8-15,19H,4-7,16-18H2,1-3H3,(H,26,28)
InChIKeyCNEWQWQXUVBETB-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.80
Rot. Bonds12

About N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide

N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 70147774) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID70147774
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccncc2)ccc1OC
InChIInChI=1S/C24H33N3O2/c1-4-16-27(17-5-2)18-6-7-21-19-22(9-10-23(21)29-3)26-24(28)11-8-20-12-14-25-15-13-20/h8-15,19H,4-7,16-18H2,1-3H3,(H,26,28)
InChIKeyCNEWQWQXUVBETB-UHFFFAOYSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.80
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-(2,4-difluorophenyl)-N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]prop-2-enamide
CID 70145632
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
CID 70145513
(Z)-but-2-enedioic acid;(E)-3-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-N-(4-pyridin-4-ylphenyl)prop-2-enamide
CID 44523519
3-(4-bromophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 54191020
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70147305
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-3-(4-chloro-2-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70148141
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(E)-3-(2-chloro-4-fluorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propyl]-4-methoxyphenyl]prop-2-enamide
CID 70144072
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 70145793

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide (CID 70147774) is N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide is CCCN(CCC)CCCc1cc(NC(=O)C=Cc2ccncc2)ccc1OC.
What is the InChIKey of N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is CNEWQWQXUVBETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-16-27(17-5-2)18-6-7-21-19-22(9-10-23(21)29-3)26-24(28)11-8-20-12-14-25-15-13-20/h8-15,19H,4-7,16-18H2,1-3H3,(H,26,28).
What are the key properties of N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide?
N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 395.55 g/mol, XLogP of 4.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 70147774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).