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

C23H31N3O3 — CID 70147305

IUPACN-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCN(CCC)CCOc1cc(NC(=O)C=Cc2cccnc2)ccc1OC
InChIInChI=1S/C23H31N3O3/c1-4-13-26(14-5-2)15-16-29-22-17-20(9-10-21(22)28-3)25-23(27)11-8-19-7-6-12-24-18-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,25,27)
InChIKeyQYORRLMMQXKOPZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.24
Rot. Bonds12

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

N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70147305) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70147305
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCN(CCC)CCOc1cc(NC(=O)C=Cc2cccnc2)ccc1OC
InChIInChI=1S/C23H31N3O3/c1-4-13-26(14-5-2)15-16-29-22-17-20(9-10-21(22)28-3)25-23(27)11-8-19-7-6-12-24-18-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,25,27)
InChIKeyQYORRLMMQXKOPZ-UHFFFAOYSA-N
XLogP4.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 54439942
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 70145793
3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70144077
N-[3-[3-(dipropylamino)propoxy]-4-methoxyphenyl]-3-(4-propylphenyl)prop-2-enamide
CID 70145513
3-(2,4-dichlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143968
3-(1-benzothiophen-2-yl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143434
N-[3-[3-(dipropylamino)propyl]-4-methoxyphenyl]-3-pyridin-4-ylprop-2-enamide
CID 70147774
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55643488
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide (CID 70147305) is N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide is CCCN(CCC)CCOc1cc(NC(=O)C=Cc2cccnc2)ccc1OC.
What is the InChIKey of N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is QYORRLMMQXKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-13-26(14-5-2)15-16-29-22-17-20(9-10-21(22)28-3)25-23(27)11-8-19-7-6-12-24-18-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,25,27).
What are the key properties of N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide?
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 397.52 g/mol, XLogP of 4.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70147305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).