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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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).