N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C18H16N4O3 — CID 166358849

IUPACN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1cc2cnccc2[nH]1
InChIInChI=1S/C18H16N4O3/c23-17-11-25-16-4-2-1-3-15(16)22(17)8-7-20-18(24)14-9-12-10-19-6-5-13(12)21-14/h1-6,9-10,21H,7-8,11H2,(H,20,24)
InChIKeyYWZGMKNGGRFORE-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 166358849) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID166358849
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1cc2cnccc2[nH]1
InChIInChI=1S/C18H16N4O3/c23-17-11-25-16-4-2-1-3-15(16)22(17)8-7-20-18(24)14-9-12-10-19-6-5-13(12)21-14/h1-6,9-10,21H,7-8,11H2,(H,20,24)
InChIKeyYWZGMKNGGRFORE-UHFFFAOYSA-N
XLogP1.72
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
CID 166201804
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
CID 166358753
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
4-[2-(1-isoquinolin-5-ylethylamino)ethyl]-1,4-benzoxazin-3-one
CID 167761072
4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166358779
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
4-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]pyridine-3-carboxamide
CID 133454985
4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
CID 167794067
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 166220908
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
N-(2-imidazol-1-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51072501

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 166358849) is N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCN1C(=O)COc2ccccc21)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YWZGMKNGGRFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-17-11-25-16-4-2-1-3-15(16)22(17)8-7-20-18(24)14-9-12-10-19-6-5-13(12)21-14/h1-6,9-10,21H,7-8,11H2,(H,20,24).
What are the key properties of N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 166358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).