4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

C20H24N4O2 — CID 91833864

IUPAC4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C20H24N4O2/c1-23(2)18-8-5-16(6-9-18)20(26)24(13-15-4-3-11-21-12-15)14-17-7-10-19(25)22-17/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyBMKSBHALNBUEDP-KRWDZBQOSA-N
MW352.44 g/mol
LogP2.07
Rot. Bonds6

About 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 91833864) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID91833864
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1
InChIInChI=1S/C20H24N4O2/c1-23(2)18-8-5-16(6-9-18)20(26)24(13-15-4-3-11-21-12-15)14-17-7-10-19(25)22-17/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyBMKSBHALNBUEDP-KRWDZBQOSA-N
XLogP2.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
2-butyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42101579
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
N-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-4-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 139943938
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 74247243
(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50965952
N-(3-chloro-4-fluorophenyl)-N'-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 50971008
N-(3-chloro-4-fluorophenyl)-N'-[(5-oxopyrrolidin-2-yl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 75592718
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 91833864) is 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide is CN(C)c1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BMKSBHALNBUEDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(2)18-8-5-16(6-9-18)20(26)24(13-15-4-3-11-21-12-15)14-17-7-10-19(25)22-17/h3-6,8-9,11-12,17H,7,10,13-14H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 91833864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).