1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane

C27H35N3O2 — CID 143751108

IUPAC1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane
SMILESCCC.[H]/N=C/c1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1NCC(C)(C)C
InChIInChI=1S/C24H27N3O2.C3H8/c1-24(2,3)17-26-22-10-9-20(13-19(22)15-25)27-12-11-21(14-23(27)28)29-16-18-7-5-4-6-8-18;1-3-2/h4-15,25-26H,16-17H2,1-3H3;3H2,1-2H3/b25-15+;
InChIKeyNNCHEGHWLJIBFO-BUWMAIPZSA-N
MW433.60 g/mol
LogP6.29
Rot. Bonds7

About 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane

1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane (PubChem CID 143751108) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane
PubChem CID143751108
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane
SMILESCCC.[H]/N=C/c1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1NCC(C)(C)C
InChIInChI=1S/C24H27N3O2.C3H8/c1-24(2,3)17-26-22-10-9-20(13-19(22)15-25)27-12-11-21(14-23(27)28)29-16-18-7-5-4-6-8-18;1-3-2/h4-15,25-26H,16-17H2,1-3H3;3H2,1-2H3/b25-15+;
InChIKeyNNCHEGHWLJIBFO-BUWMAIPZSA-N
XLogP6.29
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-methanimidoyl-4-[2-(2-methylpiperidin-1-yl)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 143723383
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[3-methanimidoyl-4-(2-piperazin-1-ylethylamino)phenyl]-4-(2-phenylethyl)pyridin-2-one
CID 143723336
[2-methoxy-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl] trifluoromethanesulfonate
CID 59187052
1-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4-phenylmethoxypyridin-2-one
CID 46911752
1-[4-[2-(diethylamino)ethyl-methylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 53318595
1-[1-(2-methoxypropyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 143723312
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane?
The IUPAC name of 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane (CID 143751108) is 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane?
The canonical SMILES for 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane is CCC.[H]/N=C/c1cc(-n2ccc(OCc3ccccc3)cc2=O)ccc1NCC(C)(C)C.
What is the InChIKey of 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane?
The InChIKey is NNCHEGHWLJIBFO-BUWMAIPZSA-N. The full InChI is InChI=1S/C24H27N3O2.C3H8/c1-24(2,3)17-26-22-10-9-20(13-19(22)15-25)27-12-11-21(14-23(27)28)29-16-18-7-5-4-6-8-18;1-3-2/h4-15,25-26H,16-17H2,1-3H3;3H2,1-2H3/b25-15+;.
What are the key properties of 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane?
1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane has a molecular weight of 433.60 g/mol, XLogP of 6.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylamino)-3-methanimidoylphenyl]-4-phenylmethoxypyridin-2-one;propane is sourced from PubChem (CID 143751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).