5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide

C23H22N4O2 — CID 11692969

IUPAC5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(-c3ccncc3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H22N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,26,28)
InChIKeyCEHZXYMVNFFEAN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.70
Rot. Bonds4

About 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide (PubChem CID 11692969) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide
PubChem CID11692969
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(-c3ccncc3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H22N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,26,28)
InChIKeyCEHZXYMVNFFEAN-UHFFFAOYSA-N
XLogP4.70
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

Sphinx31
CID 91972002
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
SPHINX scaffold, 3
CID 73672854
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
SPHINX scaffold, 2
CID 73672855
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-44
CID 156906921

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide (CID 11692969) is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide is CC1CCN(c2cc(-c3ccncc3)ccc2NC(=O)c2ccc(C#N)o2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide?
The InChIKey is CEHZXYMVNFFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,26,28).
What are the key properties of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide?
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11692969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).