2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

C27H25FN6O3 — CID 67268332

IUPAC2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)no1
InChIInChI=1S/C27H25FN6O3/c1-17-14-24(33-37-17)32-27(36)22-6-3-11-29-25(22)34-12-9-21(10-13-34)31-26(35)19-7-8-23(30-16-19)18-4-2-5-20(28)15-18/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,31,35)(H,32,33,36)
InChIKeyNWBYFEFNLGURFF-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 67268332) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID67268332
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)no1
InChIInChI=1S/C27H25FN6O3/c1-17-14-24(33-37-17)32-27(36)22-6-3-11-29-25(22)34-12-9-21(10-13-34)31-26(35)19-7-8-23(30-16-19)18-4-2-5-20(28)15-18/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,31,35)(H,32,33,36)
InChIKeyNWBYFEFNLGURFF-UHFFFAOYSA-N
XLogP4.23
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 67268332) is 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)no1.
What is the InChIKey of 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is NWBYFEFNLGURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-17-14-24(33-37-17)32-27(36)22-6-3-11-29-25(22)34-12-9-21(10-13-34)31-26(35)19-7-8-23(30-16-19)18-4-2-5-20(28)15-18/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,31,35)(H,32,33,36).
What are the key properties of 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67268332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).