N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C21H26N4O3 — CID 27033472

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C21H26N4O3/c1-4-10-24-17-7-5-6-8-18(17)25(21(24)28)11-9-19(26)22-13-16-14(2)12-15(3)23-20(16)27/h5-8,12H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyUJSHADMUTOSCBE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.22
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 27033472) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID27033472
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21
InChIInChI=1S/C21H26N4O3/c1-4-10-24-17-7-5-6-8-18(17)25(21(24)28)11-9-19(26)22-13-16-14(2)12-15(3)23-20(16)27/h5-8,12H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyUJSHADMUTOSCBE-UHFFFAOYSA-N
XLogP2.22
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27171008
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 17468824
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
4-(2-chlorophenoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
CID 52804898
N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292749
3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 32695433
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31959852

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 27033472) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc21.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is UJSHADMUTOSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-10-24-17-7-5-6-8-18(17)25(21(24)28)11-9-19(26)22-13-16-14(2)12-15(3)23-20(16)27/h5-8,12H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 27033472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).