N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C13H11N5O2 — CID 139017467

IUPACN-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]n1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H11N5O2/c19-11-2-1-10(17-18-11)7-16-13(20)9-5-8-3-4-14-12(8)15-6-9/h1-6H,7H2,(H,14,15)(H,16,20)(H,18,19)
InChIKeyBVXSZFSFPDIUNO-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.58
Rot. Bonds3

About N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 139017467) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID139017467
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(=O)[nH]n1)c1cnc2[nH]ccc2c1
InChIInChI=1S/C13H11N5O2/c19-11-2-1-10(17-18-11)7-16-13(20)9-5-8-3-4-14-12(8)15-6-9/h1-6H,7H2,(H,14,15)(H,16,20)(H,18,19)
InChIKeyBVXSZFSFPDIUNO-UHFFFAOYSA-N
XLogP0.58
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 139017467) is N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NCc1ccc(=O)[nH]n1)c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is BVXSZFSFPDIUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-11-2-1-10(17-18-11)7-16-13(20)9-5-8-3-4-14-12(8)15-6-9/h1-6H,7H2,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 139017467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).