(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate

C19H16N6O4 — CID 153429358

IUPAC(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCC(=O)Nc1cc2c(OC(=O)c3c[nH]c4cnc(NC(C)=O)cc34)c[nH]c2cn1
InChIInChI=1S/C19H16N6O4/c1-9(26)24-17-3-11-13(5-20-14(11)6-22-17)19(28)29-16-8-21-15-7-23-18(4-12(15)16)25-10(2)27/h3-8,20-21H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyABMRVMNVOWTQCD-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.58
Rot. Bonds4

About (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate

(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 153429358) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID153429358
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCC(=O)Nc1cc2c(OC(=O)c3c[nH]c4cnc(NC(C)=O)cc34)c[nH]c2cn1
InChIInChI=1S/C19H16N6O4/c1-9(26)24-17-3-11-13(5-20-14(11)6-22-17)19(28)29-16-8-21-15-7-23-18(4-12(15)16)25-10(2)27/h3-8,20-21H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyABMRVMNVOWTQCD-UHFFFAOYSA-N
XLogP2.58
TPSA141.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 67546885
methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
(3-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
CID 174758035
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
methyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 44598168
N-[3-[6-methylsulfanyl-4-(oxan-4-ylmethoxy)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694276
N-[3-[4-(methoxymethyl)-6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464342
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
1H-indol-3-yl quinoline-4-carboxylate
CID 154449060
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084

Frequently Asked Questions

What is the IUPAC name of (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate (CID 153429358) is (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate is CC(=O)Nc1cc2c(OC(=O)c3c[nH]c4cnc(NC(C)=O)cc34)c[nH]c2cn1.
What is the InChIKey of (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is ABMRVMNVOWTQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-9(26)24-17-3-11-13(5-20-14(11)6-22-17)19(28)29-16-8-21-15-7-23-18(4-12(15)16)25-10(2)27/h3-8,20-21H,1-2H3,(H,22,24,26)(H,23,25,27).
What are the key properties of (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate?
(5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 392.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-1H-pyrrolo[2,3-c]pyridin-3-yl) 5-acetamido-1H-pyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 153429358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).