2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide

C26H25N7O2S — CID 175071077

IUPAC2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
SMILESCc1c(C(N)=O)ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cscn5)C4=O)c3)nc2)c1C
InChIInChI=1S/C26H25N7O2S/c1-16-17(2)23(25(27)34)5-4-22(16)18-3-6-24(29-10-18)31-19-9-21(12-28-11-19)33-8-7-32(26(33)35)13-20-14-36-15-30-20/h3-6,9-12,14-15H,7-8,13H2,1-2H3,(H2,27,34)(H,29,31)
InChIKeyGYDDWJWEPQCWQL-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.50
Rot. Bonds7

About 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide

2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide (PubChem CID 175071077) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
PubChem CID175071077
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC Name2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
SMILESCc1c(C(N)=O)ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cscn5)C4=O)c3)nc2)c1C
InChIInChI=1S/C26H25N7O2S/c1-16-17(2)23(25(27)34)5-4-22(16)18-3-6-24(29-10-18)31-19-9-21(12-28-11-19)33-8-7-32(26(33)35)13-20-14-36-15-30-20/h3-6,9-12,14-15H,7-8,13H2,1-2H3,(H2,27,34)(H,29,31)
InChIKeyGYDDWJWEPQCWQL-UHFFFAOYSA-N
XLogP4.50
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The IUPAC name of 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide (CID 175071077) is 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide is Cc1c(C(N)=O)ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cscn5)C4=O)c3)nc2)c1C.
What is the InChIKey of 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
The InChIKey is GYDDWJWEPQCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2S/c1-16-17(2)23(25(27)34)5-4-22(16)18-3-6-24(29-10-18)31-19-9-21(12-28-11-19)33-8-7-32(26(33)35)13-20-14-36-15-30-20/h3-6,9-12,14-15H,7-8,13H2,1-2H3,(H2,27,34)(H,29,31).
What are the key properties of 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide?
2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide has a molecular weight of 499.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 175071077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).