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

C22H27ClN4O2 — CID 171709608

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(N2CCCC2=O)cc1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C22H26N4O2.ClH/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);1H
InChIKeyXGLDMGIQIQJHMS-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.71
Rot. Bonds6

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

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 171709608) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID171709608
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(N2CCCC2=O)cc1)c1cncc(CC2CCNC2)c1
InChIInChI=1S/C22H26N4O2.ClH/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);1H
InChIKeyXGLDMGIQIQJHMS-UHFFFAOYSA-N
XLogP2.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.71
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
CID 166618639
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
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 171708780
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]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 171709608) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is XGLDMGIQIQJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/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);1H.
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 2.71, 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;hydrochloride is sourced from PubChem (CID 171709608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).