4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C21H24N4O3 — CID 135096323

IUPAC4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O3/c1-14-2-3-16(11-19(14)25-9-8-23-21(25)27)20(26)24-18-13-28-12-17(18)10-15-4-6-22-7-5-15/h2-7,11,17-18H,8-10,12-13H2,1H3,(H,23,27)(H,24,26)/t17-,18-/m1/s1
InChIKeyUJAPGCKETXEXAX-QZTJIDSGSA-N
MW380.45 g/mol
LogP1.91
Rot. Bonds5

About 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 135096323) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID135096323
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O3/c1-14-2-3-16(11-19(14)25-9-8-23-21(25)27)20(26)24-18-13-28-12-17(18)10-15-4-6-22-7-5-15/h2-7,11,17-18H,8-10,12-13H2,1H3,(H,23,27)(H,24,26)/t17-,18-/m1/s1
InChIKeyUJAPGCKETXEXAX-QZTJIDSGSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 172911052
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
2-(5-fluoro-2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134707664
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
1-methyl-5-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4H-1,2,4-triazole-3-carboxamide
CID 162637258
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
1,3,7-trimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]indole-2-carboxamide
CID 135098674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 135096323) is 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is Cc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1N1CCNC1=O.
What is the InChIKey of 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is UJAPGCKETXEXAX-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-2-3-16(11-19(14)25-9-8-23-21(25)27)20(26)24-18-13-28-12-17(18)10-15-4-6-22-7-5-15/h2-7,11,17-18H,8-10,12-13H2,1H3,(H,23,27)(H,24,26)/t17-,18-/m1/s1.
What are the key properties of 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 135096323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).