N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide

C20H23N3O2 — CID 60610430

IUPACN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1c(NC(=O)CCc2ccccn2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O2/c1-15-17(20(25)23-13-4-5-14-23)8-6-9-18(15)22-19(24)11-10-16-7-2-3-12-21-16/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyLKIMKFLBOUWUQW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds5

About N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide

N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 60610430) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
PubChem CID60610430
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1c(NC(=O)CCc2ccccn2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O2/c1-15-17(20(25)23-13-4-5-14-23)8-6-9-18(15)22-19(24)11-10-16-7-2-3-12-21-16/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyLKIMKFLBOUWUQW-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 60610174
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 52815742
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826332
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide (CID 60610430) is N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide is Cc1c(NC(=O)CCc2ccccn2)cccc1C(=O)N1CCCC1.
What is the InChIKey of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is LKIMKFLBOUWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-17(20(25)23-13-4-5-14-23)8-6-9-18(15)22-19(24)11-10-16-7-2-3-12-21-16/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide?
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60610430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).