1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide

C23H26N4O2 — CID 155106819

IUPAC1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide
SMILESC=C1C(C(=O)NN2CCCCC2)=NN(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-17-20-8-4-5-9-21(20)27(16-18-10-12-19(29-2)13-11-18)24-22(17)23(28)25-26-14-6-3-7-15-26/h4-5,8-13H,1,3,6-7,14-16H2,2H3,(H,25,28)
InChIKeyLCOOOSAHYKFYFT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.60
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide

1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide (PubChem CID 155106819) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide
PubChem CID155106819
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide
SMILESC=C1C(C(=O)NN2CCCCC2)=NN(Cc2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-17-20-8-4-5-9-21(20)27(16-18-10-12-19(29-2)13-11-18)24-22(17)23(28)25-26-14-6-3-7-15-26/h4-5,8-13H,1,3,6-7,14-16H2,2H3,(H,25,28)
InChIKeyLCOOOSAHYKFYFT-UHFFFAOYSA-N
XLogP3.60
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
[1-[(4-methoxyphenyl)methyl]-4,4-dioxo-4λ6,1,2-benzothiadiazin-3-yl]-pyrrolidin-1-ylmethanone
CID 53151438
5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
CID 71734602
(3R,4S)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-piperidin-1-yl-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 69112352
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
1-(2-chlorophenyl)-4-(18F)fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10928082
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
2-[(4-methoxyphenyl)methyl]-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42167610
4-[(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 50829901
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide (CID 155106819) is 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide is C=C1C(C(=O)NN2CCCCC2)=NN(Cc2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide?
The InChIKey is LCOOOSAHYKFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-20-8-4-5-9-21(20)27(16-18-10-12-19(29-2)13-11-18)24-22(17)23(28)25-26-14-6-3-7-15-26/h4-5,8-13H,1,3,6-7,14-16H2,2H3,(H,25,28).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-methylidene-N-piperidin-1-ylcinnoline-3-carboxamide is sourced from PubChem (CID 155106819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).