N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C19H19N5O3 — CID 51334622

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCN3C(=O)COc4ccccc43)cc12
InChIInChI=1S/C19H19N5O3/c1-12-14-9-13(10-20-19(14)23(2)22-12)21-17(25)7-8-24-15-5-3-4-6-16(15)27-11-18(24)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,25)
InChIKeyTYHJPUQVBPUVOY-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.03
Rot. Bonds4

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 51334622) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID51334622
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCN3C(=O)COc4ccccc43)cc12
InChIInChI=1S/C19H19N5O3/c1-12-14-9-13(10-20-19(14)23(2)22-12)21-17(25)7-8-24-15-5-3-4-6-16(15)27-11-18(24)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,25)
InChIKeyTYHJPUQVBPUVOY-UHFFFAOYSA-N
XLogP2.03
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 51334622) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1nn(C)c2ncc(NC(=O)CCN3C(=O)COc4ccccc43)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is TYHJPUQVBPUVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-14-9-13(10-20-19(14)23(2)22-12)21-17(25)7-8-24-15-5-3-4-6-16(15)27-11-18(24)26/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 51334622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).