(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H28N6O2 — CID 92561183

IUPAC(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C
InChIInChI=1S/C25H28N6O2/c1-16-7-5-9-21(17(16)2)31-15-19(11-23(31)32)25(33)27-14-20-12-22(30(3)4)29-24(28-20)18-8-6-10-26-13-18/h5-10,12-13,19H,11,14-15H2,1-4H3,(H,27,33)/t19-/m0/s1
InChIKeyOLIKQTUWANXIOD-IBGZPJMESA-N
MW444.54 g/mol
LogP2.89
Rot. Bonds6

About (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92561183) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92561183
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2C[C@@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C
InChIInChI=1S/C25H28N6O2/c1-16-7-5-9-21(17(16)2)31-15-19(11-23(31)32)25(33)27-14-20-12-22(30(3)4)29-24(28-20)18-8-6-10-26-13-18/h5-10,12-13,19H,11,14-15H2,1-4H3,(H,27,33)/t19-/m0/s1
InChIKeyOLIKQTUWANXIOD-IBGZPJMESA-N
XLogP2.89
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
methyl 2-[2-oxo-4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidin-1-yl]benzoate
CID 108770958
1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 29183622
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366317
1-(2,3-dimethylphenyl)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55900417
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 52792137
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92561183) is (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2C[C@@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C.
What is the InChIKey of (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OLIKQTUWANXIOD-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16-7-5-9-21(17(16)2)31-15-19(11-23(31)32)25(33)27-14-20-12-22(30(3)4)29-24(28-20)18-8-6-10-26-13-18/h5-10,12-13,19H,11,14-15H2,1-4H3,(H,27,33)/t19-/m0/s1.
What are the key properties of (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]methyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92561183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).