2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C13H14N4O — CID 90134128

IUPAC2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccnc(N)c2)cc2c1CCNC2=O
InChIInChI=1S/C13H14N4O/c1-17-10-3-5-16-13(18)9(10)7-11(17)8-2-4-15-12(14)6-8/h2,4,6-7H,3,5H2,1H3,(H2,14,15)(H,16,18)
InChIKeyCHOMTDNUEOLCBO-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.96
Rot. Bonds1

About 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 90134128) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID90134128
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2ccnc(N)c2)cc2c1CCNC2=O
InChIInChI=1S/C13H14N4O/c1-17-10-3-5-16-13(18)9(10)7-11(17)8-2-4-15-12(14)6-8/h2,4,6-7H,3,5H2,1H3,(H2,14,15)(H,16,18)
InChIKeyCHOMTDNUEOLCBO-UHFFFAOYSA-N
XLogP0.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 90134128) is 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cn1c(-c2ccnc(N)c2)cc2c1CCNC2=O.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CHOMTDNUEOLCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17-10-3-5-16-13(18)9(10)7-11(17)8-2-4-15-12(14)6-8/h2,4,6-7H,3,5H2,1H3,(H2,14,15)(H,16,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 242.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 90134128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).