N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C22H23N5O3S — CID 16573427

IUPACN-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccnc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)c1
InChIInChI=1S/C22H23N5O3S/c1-14-8-9-23-18(12-14)25-20(29)15-4-6-16(7-5-15)24-19(28)13-17-21(30)26-22(31-17)27-10-2-3-11-27/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,24,28)(H,23,25,29)
InChIKeySGCNFQAAVKONMG-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.06
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 16573427) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID16573427
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccnc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)c1
InChIInChI=1S/C22H23N5O3S/c1-14-8-9-23-18(12-14)25-20(29)15-4-6-16(7-5-15)24-19(28)13-17-21(30)26-22(31-17)27-10-2-3-11-27/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,24,28)(H,23,25,29)
InChIKeySGCNFQAAVKONMG-UHFFFAOYSA-N
XLogP3.06
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Aminobenzamidopyridine
CID 81976
Benzamide, 4-(acetylamino)-N-2-pyridinyl-
CID 215925
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylpyridin-2-yl)benzamide
CID 969698
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66556402
3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide
CID 162757961
Benzamide, p-amino-N-(3-methyl-2-pyridyl)-
CID 28702
Benzamide, p-amino-N-(4-methyl-2-pyridyl)-
CID 37552
NEP inhibitor, 6r
CID 57340118

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 16573427) is N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is Cc1ccnc(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is SGCNFQAAVKONMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-14-8-9-23-18(12-14)25-20(29)15-4-6-16(7-5-15)24-19(28)13-17-21(30)26-22(31-17)27-10-2-3-11-27/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,24,28)(H,23,25,29).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 437.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 16573427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).