3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride

C25H31ClN4O4 — CID 66891714

IUPAC3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride
SMILESCCOc1c(C(=O)NC2CCNCC2)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-4-33-23-21-19(28(3)22(23)24(31)27-18-10-12-26-13-11-18)14-16(2)29(25(21)32)15-20(30)17-8-6-5-7-9-17;/h5-9,14,18,26H,4,10-13,15H2,1-3H3,(H,27,31);1H
InChIKeyXQTKLNBQZONFAS-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.83
Rot. Bonds7

About 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride

3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 66891714) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride
PubChem CID66891714
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC Name3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride
SMILESCCOc1c(C(=O)NC2CCNCC2)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-4-33-23-21-19(28(3)22(23)24(31)27-18-10-12-26-13-11-18)14-16(2)29(25(21)32)15-20(30)17-8-6-5-7-9-17;/h5-9,14,18,26H,4,10-13,15H2,1-3H3,(H,27,31);1H
InChIKeyXQTKLNBQZONFAS-UHFFFAOYSA-N
XLogP2.83
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
3-ethoxy-6-ethyl-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 88591958
4-[(3-ethoxy-6-ethyl-4-oxo-5-phenacylthieno[3,2-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylic acid
CID 66892582
N-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70973231
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
tert-butyl 2-[3-[(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]acetate
CID 58092822
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride (CID 66891714) is 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride is CCOc1c(C(=O)NC2CCNCC2)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12.Cl.
What is the InChIKey of 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is XQTKLNBQZONFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.ClH/c1-4-33-23-21-19(28(3)22(23)24(31)27-18-10-12-26-13-11-18)14-16(2)29(25(21)32)15-20(30)17-8-6-5-7-9-17;/h5-9,14,18,26H,4,10-13,15H2,1-3H3,(H,27,31);1H.
What are the key properties of 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride?
3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 487.00 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,6-dimethyl-4-oxo-5-phenacyl-N-piperidin-4-ylpyrrolo[3,2-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66891714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).