4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

C20H22N4O2 — CID 53185237

IUPAC4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(CN2CCC(NC(=O)c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C20H22N4O2/c1-2-26-19-8-5-16(12-22-19)13-24-10-9-18(14-24)23-20(25)17-6-3-15(11-21)4-7-17/h3-8,12,18H,2,9-10,13-14H2,1H3,(H,23,25)
InChIKeyPBEGSQCHBYTCJF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds6

About 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 53185237) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID53185237
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(CN2CCC(NC(=O)c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C20H22N4O2/c1-2-26-19-8-5-16(12-22-19)13-24-10-9-18(14-24)23-20(25)17-6-3-15(11-21)4-7-17/h3-8,12,18H,2,9-10,13-14H2,1H3,(H,23,25)
InChIKeyPBEGSQCHBYTCJF-UHFFFAOYSA-N
XLogP2.36
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[(4-ethoxyphenyl)methyl]piperidine-4-carbonyl]benzamide
CID 141254518
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (CID 53185237) is 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is CCOc1ccc(CN2CCC(NC(=O)c3ccc(C#N)cc3)C2)cn1.
What is the InChIKey of 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is PBEGSQCHBYTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-19-8-5-16(12-22-19)13-24-10-9-18(14-24)23-20(25)17-6-3-15(11-21)4-7-17/h3-8,12,18H,2,9-10,13-14H2,1H3,(H,23,25).
What are the key properties of 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 53185237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).