4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide

C20H23FN6O2 — CID 138588499

IUPAC4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3nnc(NC(=O)N4CCC(NCCF)CC4)cc3c2)o1
InChIInChI=1S/C20H23FN6O2/c1-13-23-12-18(29-13)14-2-3-17-15(10-14)11-19(26-25-17)24-20(28)27-8-4-16(5-9-27)22-7-6-21/h2-3,10-12,16,22H,4-9H2,1H3,(H,24,26,28)
InChIKeyPQEGNRGJTPSNAD-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.15
Rot. Bonds5

About 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide

4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide (PubChem CID 138588499) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
PubChem CID138588499
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
SMILESCc1ncc(-c2ccc3nnc(NC(=O)N4CCC(NCCF)CC4)cc3c2)o1
InChIInChI=1S/C20H23FN6O2/c1-13-23-12-18(29-13)14-2-3-17-15(10-14)11-19(26-25-17)24-20(28)27-8-4-16(5-9-27)22-7-6-21/h2-3,10-12,16,22H,4-9H2,1H3,(H,24,26,28)
InChIKeyPQEGNRGJTPSNAD-UHFFFAOYSA-N
XLogP3.15
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide (CID 138588499) is 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide is Cc1ncc(-c2ccc3nnc(NC(=O)N4CCC(NCCF)CC4)cc3c2)o1.
What is the InChIKey of 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide?
The InChIKey is PQEGNRGJTPSNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-13-23-12-18(29-13)14-2-3-17-15(10-14)11-19(26-25-17)24-20(28)27-8-4-16(5-9-27)22-7-6-21/h2-3,10-12,16,22H,4-9H2,1H3,(H,24,26,28).
What are the key properties of 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide?
4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 138588499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).