ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate

C19H21N3O4 — CID 51114809

IUPACethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(OC)c(N3CCCC3=O)c2)nc1
InChIInChI=1S/C19H21N3O4/c1-3-26-19(24)13-6-9-17(20-12-13)21-14-7-8-16(25-2)15(11-14)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyKVJXPLCRTAWYQN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.14
Rot. Bonds6

About ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate

ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate (PubChem CID 51114809) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
PubChem CID51114809
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2ccc(OC)c(N3CCCC3=O)c2)nc1
InChIInChI=1S/C19H21N3O4/c1-3-26-19(24)13-6-9-17(20-12-13)21-14-7-8-16(25-2)15(11-14)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21)
InChIKeyKVJXPLCRTAWYQN-UHFFFAOYSA-N
XLogP3.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
ethyl 4-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-methylbenzoate
CID 38011110
ethyl 6-(4-aminoanilino)pyridine-3-carboxylate
CID 63214956
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
CID 56584943
ethyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate
CID 32800817
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
4-acetyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 39873991
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylate
CID 31535174
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
ethyl 4-[[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866544
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate (CID 51114809) is ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2ccc(OC)c(N3CCCC3=O)c2)nc1.
What is the InChIKey of ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate?
The InChIKey is KVJXPLCRTAWYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-26-19(24)13-6-9-17(20-12-13)21-14-7-8-16(25-2)15(11-14)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate?
ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate is sourced from PubChem (CID 51114809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).