4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C20H17ClN4O2 — CID 146299053

IUPAC4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cccc(Cl)c2)cc1Nc1ccnc2c1CC(=O)N2
InChIInChI=1S/C20H17ClN4O2/c1-2-15-17(23-16-6-7-22-19-14(16)10-18(26)25-19)9-13(20(27)24-15)11-4-3-5-12(21)8-11/h3-9H,2,10H2,1H3,(H,24,27)(H2,22,23,25,26)
InChIKeyBQFRBDAQURQGPU-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.89
Rot. Bonds4

About 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 146299053) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID146299053
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cccc(Cl)c2)cc1Nc1ccnc2c1CC(=O)N2
InChIInChI=1S/C20H17ClN4O2/c1-2-15-17(23-16-6-7-22-19-14(16)10-18(26)25-19)9-13(20(27)24-15)11-4-3-5-12(21)8-11/h3-9H,2,10H2,1H3,(H,24,27)(H2,22,23,25,26)
InChIKeyBQFRBDAQURQGPU-UHFFFAOYSA-N
XLogP3.89
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 146299053) is 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CCc1[nH]c(=O)c(-c2cccc(Cl)c2)cc1Nc1ccnc2c1CC(=O)N2.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is BQFRBDAQURQGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-2-15-17(23-16-6-7-22-19-14(16)10-18(26)25-19)9-13(20(27)24-15)11-4-3-5-12(21)8-11/h3-9H,2,10H2,1H3,(H,24,27)(H2,22,23,25,26).
What are the key properties of 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 380.84 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 146299053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).