N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C22H27N5O3 — CID 60576683

IUPACN-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cccnc2N2CCOCC2)c2ccccc21
InChIInChI=1S/C22H27N5O3/c1-2-11-26-18-7-3-4-8-19(18)27(22(26)29)12-9-20(28)24-17-6-5-10-23-21(17)25-13-15-30-16-14-25/h3-8,10H,2,9,11-16H2,1H3,(H,24,28)
InChIKeyXEOASPJBNHCKBZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.47
Rot. Bonds7

About N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 60576683) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID60576683
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2cccnc2N2CCOCC2)c2ccccc21
InChIInChI=1S/C22H27N5O3/c1-2-11-26-18-7-3-4-8-19(18)27(22(26)29)12-9-20(28)24-17-6-5-10-23-21(17)25-13-15-30-16-14-25/h3-8,10H,2,9,11-16H2,1H3,(H,24,28)
InChIKeyXEOASPJBNHCKBZ-UHFFFAOYSA-N
XLogP2.47
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzimidazol-1-yl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576832
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)propanamide
CID 60576563
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18285888
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 55980582
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55446532
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
CID 16597390
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 60576683) is N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2cccnc2N2CCOCC2)c2ccccc21.
What is the InChIKey of N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is XEOASPJBNHCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-2-11-26-18-7-3-4-8-19(18)27(22(26)29)12-9-20(28)24-17-6-5-10-23-21(17)25-13-15-30-16-14-25/h3-8,10H,2,9,11-16H2,1H3,(H,24,28).
What are the key properties of N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 409.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 60576683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).