N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

C22H26N4O2 — CID 166618639

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C22H26N4O2/c27-21-2-1-9-26(21)20-5-3-16(4-6-20)14-25-22(28)19-11-18(13-24-15-19)10-17-7-8-23-12-17/h3-6,11,13,15,17,23H,1-2,7-10,12,14H2,(H,25,28)
InChIKeyVTYYMUBWGSOBOS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.29
Rot. Bonds6

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 166618639) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID166618639
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C22H26N4O2/c27-21-2-1-9-26(21)20-5-3-16(4-6-20)14-25-22(28)19-11-18(13-24-15-19)10-17-7-8-23-12-17/h3-6,11,13,15,17,23H,1-2,7-10,12,14H2,(H,25,28)
InChIKeyVTYYMUBWGSOBOS-UHFFFAOYSA-N
XLogP2.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709608
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709566
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-(2H-indazol-3-ylmethyl)-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 118213031
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 119303551
1-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazolo[4,5-b]pyridine-6-carboxamide
CID 163310988
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (CID 166618639) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cncc(CC2CCNC2)c1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VTYYMUBWGSOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21-2-1-9-26(21)20-5-3-16(4-6-20)14-25-22(28)19-11-18(13-24-15-19)10-17-7-8-23-12-17/h3-6,11,13,15,17,23H,1-2,7-10,12,14H2,(H,25,28).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166618639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).