2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C21H23N5O4S — CID 90403378

IUPAC2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)c(C)n1
InChIInChI=1S/C21H23N5O4S/c1-12-16(30-14-8-9-22-15(10-14)17-11-23-13(2)31-17)6-7-18(24-12)25-20(28)26-19(27)21(3,4)29-5/h6-11H,1-5H3,(H2,24,25,26,27,28)
InChIKeyJGHJSVPEMJVPKE-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.08
Rot. Bonds6

About 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 90403378) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID90403378
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCOC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)c(C)n1
InChIInChI=1S/C21H23N5O4S/c1-12-16(30-14-8-9-22-15(10-14)17-11-23-13(2)31-17)6-7-18(24-12)25-20(28)26-19(27)21(3,4)29-5/h6-11H,1-5H3,(H2,24,25,26,27,28)
InChIKeyJGHJSVPEMJVPKE-UHFFFAOYSA-N
XLogP4.08
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 90403378) is 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)c(C)n1.
What is the InChIKey of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is JGHJSVPEMJVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-12-16(30-14-8-9-22-15(10-14)17-11-23-13(2)31-17)6-7-18(24-12)25-20(28)26-19(27)21(3,4)29-5/h6-11H,1-5H3,(H2,24,25,26,27,28).
What are the key properties of 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 441.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[[6-methyl-5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 90403378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).