(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H21N3O2 — CID 28893428

IUPAC(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-6-14(2)8-17(7-13)22-12-16(9-18(22)23)19(24)21-11-15-4-3-5-20-10-15/h3-8,10,16H,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyZBMFGYCQQXBDTK-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds4

About (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 28893428) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID28893428
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-6-14(2)8-17(7-13)22-12-16(9-18(22)23)19(24)21-11-15-4-3-5-20-10-15/h3-8,10,16H,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyZBMFGYCQQXBDTK-MRXNPFEDSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
5-oxo-N-(pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188698
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 29183622
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95098315
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
(3S)-5-oxo-N-(pyridin-3-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720889
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
1-(3,5-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109987
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 28893428) is (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is Cc1cc(C)cc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)c1.
What is the InChIKey of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZBMFGYCQQXBDTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-6-14(2)8-17(7-13)22-12-16(9-18(22)23)19(24)21-11-15-4-3-5-20-10-15/h3-8,10,16H,9,11-12H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 28893428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).