N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide

C21H20N6O2 — CID 171491884

IUPACN-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cncnc2C)nc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C21H20N6O2/c1-12-4-5-17(25-18(28)8-14-9-22-11-24-13(14)2)26-19(12)16-10-27(3)21(29)20-15(16)6-7-23-20/h4-7,9-11,23H,8H2,1-3H3,(H,25,26,28)
InChIKeyHSBYUKFKAARQKL-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.52
Rot. Bonds4

About N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide

N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide (PubChem CID 171491884) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide
PubChem CID171491884
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cncnc2C)nc1-c1cn(C)c(=O)c2[nH]ccc12
InChIInChI=1S/C21H20N6O2/c1-12-4-5-17(25-18(28)8-14-9-22-11-24-13(14)2)26-19(12)16-10-27(3)21(29)20-15(16)6-7-23-20/h4-7,9-11,23H,8H2,1-3H3,(H,25,26,28)
InChIKeyHSBYUKFKAARQKL-UHFFFAOYSA-N
XLogP2.52
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide?
The IUPAC name of N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide (CID 171491884) is N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide is Cc1ccc(NC(=O)Cc2cncnc2C)nc1-c1cn(C)c(=O)c2[nH]ccc12.
What is the InChIKey of N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide?
The InChIKey is HSBYUKFKAARQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12-4-5-17(25-18(28)8-14-9-22-11-24-13(14)2)26-19(12)16-10-27(3)21(29)20-15(16)6-7-23-20/h4-7,9-11,23H,8H2,1-3H3,(H,25,26,28).
What are the key properties of N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide?
N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-2-(4-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 171491884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).