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

C21H24N4O3 — CID 91785303

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O3/c1-13-5-6-14(12-18(13)25-9-8-23-21(25)28)20(27)24-19(15-10-16(26)11-15)17-4-2-3-7-22-17/h2-7,12,15-16,19,26H,8-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyMSTGINYJPAJMSP-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.16
Rot. Bonds5

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

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 91785303) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID91785303
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1N1CCNC1=O
InChIInChI=1S/C21H24N4O3/c1-13-5-6-14(12-18(13)25-9-8-23-21(25)28)20(27)24-19(15-10-16(26)11-15)17-4-2-3-7-22-17/h2-7,12,15-16,19,26H,8-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyMSTGINYJPAJMSP-UHFFFAOYSA-N
XLogP2.16
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 91759644
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 91769261
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
CID 91780138
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
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 94493854
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 91785303) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1N1CCNC1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is MSTGINYJPAJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-5-6-14(12-18(13)25-9-8-23-21(25)28)20(27)24-19(15-10-16(26)11-15)17-4-2-3-7-22-17/h2-7,12,15-16,19,26H,8-11H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 91785303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).