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

C22H16F2N6O2S — CID 10027525

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)NCc3cccnc3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H16F2N6O2S/c23-14-4-1-5-15(24)17(14)18(31)19-20(25)30-22(33-19)29-16-7-6-13(11-27-16)21(32)28-10-12-3-2-8-26-9-12/h1-9,11H,10,25H2,(H,28,32)(H,27,29,30)
InChIKeyBDBMMIDFBGELPT-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.70
Rot. Bonds7

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

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 10027525) has the molecular formula C22H16F2N6O2S and a molecular weight of 466.47 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID10027525
Molecular FormulaC22H16F2N6O2S
Molecular Weight466.47 g/mol
Exact Mass466.10
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)NCc3cccnc3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H16F2N6O2S/c23-14-4-1-5-15(24)17(14)18(31)19-20(25)30-22(33-19)29-16-7-6-13(11-27-16)21(32)28-10-12-3-2-8-26-9-12/h1-9,11H,10,25H2,(H,28,32)(H,27,29,30)
InChIKeyBDBMMIDFBGELPT-UHFFFAOYSA-N
XLogP3.70
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.70
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-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 10027525) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Nc1nc(Nc2ccc(C(=O)NCc3cccnc3)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-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BDBMMIDFBGELPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2S/c23-14-4-1-5-15(24)17(14)18(31)19-20(25)30-22(33-19)29-16-7-6-13(11-27-16)21(32)28-10-12-3-2-8-26-9-12/h1-9,11H,10,25H2,(H,28,32)(H,27,29,30).
What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 3.70, 7 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-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10027525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).