N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide

C24H24N8O4 — CID 129272887

IUPACN-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide
SMILESCC(=O)N(N)C1C=C(c2c(Nc3ccccc3)c3c(n2N)CN(C(=O)c2ncco2)CC3=O)C=CN1
InChIInChI=1S/C24H24N8O4/c1-14(33)31(25)19-11-15(7-8-27-19)22-21(29-16-5-3-2-4-6-16)20-17(32(22)26)12-30(13-18(20)34)24(35)23-28-9-10-36-23/h2-11,19,27,29H,12-13,25-26H2,1H3
InChIKeyXSUNVTSETAZBBT-UHFFFAOYSA-N
MW488.51 g/mol
LogP1.32
Rot. Bonds5

About N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide

N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide (PubChem CID 129272887) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide
PubChem CID129272887
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC NameN-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide
SMILESCC(=O)N(N)C1C=C(c2c(Nc3ccccc3)c3c(n2N)CN(C(=O)c2ncco2)CC3=O)C=CN1
InChIInChI=1S/C24H24N8O4/c1-14(33)31(25)19-11-15(7-8-27-19)22-21(29-16-5-3-2-4-6-16)20-17(32(22)26)12-30(13-18(20)34)24(35)23-28-9-10-36-23/h2-11,19,27,29H,12-13,25-26H2,1H3
InChIKeyXSUNVTSETAZBBT-UHFFFAOYSA-N
XLogP1.32
TPSA164.75 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide?
The IUPAC name of N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide (CID 129272887) is N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide.
What is the SMILES notation for N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide?
The canonical SMILES for N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide is CC(=O)N(N)C1C=C(c2c(Nc3ccccc3)c3c(n2N)CN(C(=O)c2ncco2)CC3=O)C=CN1.
What is the InChIKey of N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide?
The InChIKey is XSUNVTSETAZBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O4/c1-14(33)31(25)19-11-15(7-8-27-19)22-21(29-16-5-3-2-4-6-16)20-17(32(22)26)12-30(13-18(20)34)24(35)23-28-9-10-36-23/h2-11,19,27,29H,12-13,25-26H2,1H3.
What are the key properties of N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide?
N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide has a molecular weight of 488.51 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-amino-3-anilino-6-(1,3-oxazole-2-carbonyl)-4-oxo-5,7-dihydropyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydropyridin-2-yl]acetohydrazide is sourced from PubChem (CID 129272887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).