N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide

C19H21N3O2 — CID 118773574

IUPACN-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cccc(-c3ccnc(C)c3)c2)C1
InChIInChI=1S/C19H21N3O2/c1-13-10-16(6-8-20-13)15-4-3-5-17(11-15)19(24)22-9-7-18(12-22)21-14(2)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,21,23)
InChIKeyPTPHYRZZDMTENX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.41
Rot. Bonds3

About N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide

N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 118773574) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID118773574
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cccc(-c3ccnc(C)c3)c2)C1
InChIInChI=1S/C19H21N3O2/c1-13-10-16(6-8-20-13)15-4-3-5-17(11-15)19(24)22-9-7-18(12-22)21-14(2)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,21,23)
InChIKeyPTPHYRZZDMTENX-UHFFFAOYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
methyl 4-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-1H-pyrrole-2-carboxylate
CID 126425036
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125164313
5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 126452342
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125442665

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide (CID 118773574) is N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cccc(-c3ccnc(C)c3)c2)C1.
What is the InChIKey of N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PTPHYRZZDMTENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-16(6-8-20-13)15-4-3-5-17(11-15)19(24)22-9-7-18(12-22)21-14(2)23/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 118773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).