2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide

C20H16N6O2S — CID 169196552

IUPAC2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cc(Oc3sc(N)nc3-c3ccccc3)ccn2)c1
InChIInChI=1S/C20H16N6O2S/c21-18(27)13-6-8-23-15(10-13)25-16-11-14(7-9-24-16)28-19-17(26-20(22)29-19)12-4-2-1-3-5-12/h1-11H,(H2,21,27)(H2,22,26)(H,23,24,25)
InChIKeyLULYRLCOWRHWGW-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.82
Rot. Bonds6

About 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide

2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 169196552) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID169196552
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cc(Oc3sc(N)nc3-c3ccccc3)ccn2)c1
InChIInChI=1S/C20H16N6O2S/c21-18(27)13-6-8-23-15(10-13)25-16-11-14(7-9-24-16)28-19-17(26-20(22)29-19)12-4-2-1-3-5-12/h1-11H,(H2,21,27)(H2,22,26)(H,23,24,25)
InChIKeyLULYRLCOWRHWGW-UHFFFAOYSA-N
XLogP3.82
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide (CID 169196552) is 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide is NC(=O)c1ccnc(Nc2cc(Oc3sc(N)nc3-c3ccccc3)ccn2)c1.
What is the InChIKey of 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is LULYRLCOWRHWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c21-18(27)13-6-8-23-15(10-13)25-16-11-14(7-9-24-16)28-19-17(26-20(22)29-19)12-4-2-1-3-5-12/h1-11H,(H2,21,27)(H2,22,26)(H,23,24,25).
What are the key properties of 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide?
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 169196552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).