6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C23H24F2N6O2S — CID 10254849

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)NCCN3CCCCC3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H24F2N6O2S/c24-15-5-4-6-16(25)18(15)19(32)20-21(26)30-23(34-20)29-17-8-7-14(13-28-17)22(33)27-9-12-31-10-2-1-3-11-31/h4-8,13H,1-3,9-12,26H2,(H,27,33)(H,28,29,30)
InChIKeyDBNZFBGYKLYESQ-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.59
Rot. Bonds8

About 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 10254849) has the molecular formula C23H24F2N6O2S and a molecular weight of 486.55 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID10254849
Molecular FormulaC23H24F2N6O2S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)NCCN3CCCCC3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H24F2N6O2S/c24-15-5-4-6-16(25)18(15)19(32)20-21(26)30-23(34-20)29-17-8-7-14(13-28-17)22(33)27-9-12-31-10-2-1-3-11-31/h4-8,13H,1-3,9-12,26H2,(H,27,33)(H,28,29,30)
InChIKeyDBNZFBGYKLYESQ-UHFFFAOYSA-N
XLogP3.59
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 10254849) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is Nc1nc(Nc2ccc(C(=O)NCCN3CCCCC3)cn2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is DBNZFBGYKLYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c24-15-5-4-6-16(25)18(15)19(32)20-21(26)30-23(34-20)29-17-8-7-14(13-28-17)22(33)27-9-12-31-10-2-1-3-11-31/h4-8,13H,1-3,9-12,26H2,(H,27,33)(H,28,29,30).
What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10254849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).