N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide

C21H25N3O2 — CID 125159123

IUPACN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCN2CCCC2=O)c2cccnc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-7-8-16(2)18(13-15)21(17-5-3-10-22-14-17)23-19(25)9-12-24-11-4-6-20(24)26/h3,5,7-8,10,13-14,21H,4,6,9,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyFXPTWEOSQGPWFK-OAQYLSRUSA-N
MW351.45 g/mol
LogP2.92
Rot. Bonds6

About N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 125159123) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID125159123
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCN2CCCC2=O)c2cccnc2)c1
InChIInChI=1S/C21H25N3O2/c1-15-7-8-16(2)18(13-15)21(17-5-3-10-22-14-17)23-19(25)9-12-24-11-4-6-20(24)26/h3,5,7-8,10,13-14,21H,4,6,9,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyFXPTWEOSQGPWFK-OAQYLSRUSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 72840386
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 95134605
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031
N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[(S)-(2,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-propan-2-yloxyacetamide
CID 125167436
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51585136

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 125159123) is N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide is Cc1ccc(C)c([C@H](NC(=O)CCN2CCCC2=O)c2cccnc2)c1.
What is the InChIKey of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is FXPTWEOSQGPWFK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-8-16(2)18(13-15)21(17-5-3-10-22-14-17)23-19(25)9-12-24-11-4-6-20(24)26/h3,5,7-8,10,13-14,21H,4,6,9,11-12H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 125159123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).