furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone

C22H22N4O3 — CID 109216178

IUPACfuran-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccccc1Nc1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C22H22N4O3/c1-16-5-2-3-6-18(16)24-17-8-9-23-19(15-17)21(27)25-10-12-26(13-11-25)22(28)20-7-4-14-29-20/h2-9,14-15H,10-13H2,1H3,(H,23,24)
InChIKeyJJLAQEJMODSWJM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.32
Rot. Bonds4

About furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 109216178) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
PubChem CID109216178
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namefuran-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccccc1Nc1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C22H22N4O3/c1-16-5-2-3-6-18(16)24-17-8-9-23-19(15-17)21(27)25-10-12-26(13-11-25)22(28)20-7-4-14-29-20/h2-9,14-15H,10-13H2,1H3,(H,23,24)
InChIKeyJJLAQEJMODSWJM-UHFFFAOYSA-N
XLogP3.32
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109088728
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
[4-(2,3-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109215610
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
CID 109353097
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[4-(4-bromo-2-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203773
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310528

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone (CID 109216178) is furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone is Cc1ccccc1Nc1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is JJLAQEJMODSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-5-2-3-6-18(16)24-17-8-9-23-19(15-17)21(27)25-10-12-26(13-11-25)22(28)20-7-4-14-29-20/h2-9,14-15H,10-13H2,1H3,(H,23,24).
What are the key properties of furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109216178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).