1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

C18H19N3O2 — CID 154780029

IUPAC1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccncc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(17(23)20-15-8-11-19-12-9-15)10-5-13-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-9,11-12H,5,10,13H2,1H3,(H,19,20,23)
InChIKeyMZYNSSIBIATLAG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds3

About 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide

1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (PubChem CID 154780029) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
PubChem CID154780029
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccncc2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(17(23)20-15-8-11-19-12-9-15)10-5-13-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-9,11-12H,5,10,13H2,1H3,(H,19,20,23)
InChIKeyMZYNSSIBIATLAG-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
CID 46948259
1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 115183955

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide (CID 154780029) is 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is CC1(C(=O)Nc2ccncc2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is MZYNSSIBIATLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(17(23)20-15-8-11-19-12-9-15)10-5-13-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-9,11-12H,5,10,13H2,1H3,(H,19,20,23).
What are the key properties of 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide?
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154780029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).