(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C22H27N5O2 — CID 37334600

IUPAC(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2=O)cc1
InChIInChI=1S/C22H27N5O2/c1-16-3-6-19(7-4-16)27-15-17(13-21(27)28)22(29)24-18-5-8-20(23-14-18)26-11-9-25(2)10-12-26/h3-8,14,17H,9-13,15H2,1-2H3,(H,24,29)/t17-/m1/s1
InChIKeyNHEHTYBIDAQHAG-QGZVFWFLSA-N
MW393.49 g/mol
LogP2.13
Rot. Bonds4

About (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 37334600) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID37334600
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2=O)cc1
InChIInChI=1S/C22H27N5O2/c1-16-3-6-19(7-4-16)27-15-17(13-21(27)28)22(29)24-18-5-8-20(23-14-18)26-11-9-25(2)10-12-26/h3-8,14,17H,9-13,15H2,1-2H3,(H,24,29)/t17-/m1/s1
InChIKeyNHEHTYBIDAQHAG-QGZVFWFLSA-N
XLogP2.13
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069
(3R)-1-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25344191
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
1-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55871843
1-(4-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56559166
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 37334600) is (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NHEHTYBIDAQHAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-3-6-19(7-4-16)27-15-17(13-21(27)28)22(29)24-18-5-8-20(23-14-18)26-11-9-25(2)10-12-26/h3-8,14,17H,9-13,15H2,1-2H3,(H,24,29)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 37334600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).