N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H24N6O2 — CID 92607033

IUPACN-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-14-18(26-22(27-20)16-8-10-24-11-9-16)15-25-23(31)17-5-3-6-19(13-17)29-12-4-7-21(29)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,25,31)
InChIKeyLNSYXFMQLXUZQD-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.66
Rot. Bonds6

About N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 92607033) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID92607033
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-14-18(26-22(27-20)16-8-10-24-11-9-16)15-25-23(31)17-5-3-6-19(13-17)29-12-4-7-21(29)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,25,31)
InChIKeyLNSYXFMQLXUZQD-UHFFFAOYSA-N
XLogP2.66
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 3244167
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
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CID 78816876
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27864271
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 92607033) is N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(C)c1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LNSYXFMQLXUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(2)20-14-18(26-22(27-20)16-8-10-24-11-9-16)15-25-23(31)17-5-3-6-19(13-17)29-12-4-7-21(29)30/h3,5-6,8-11,13-14H,4,7,12,15H2,1-2H3,(H,25,31).
What are the key properties of N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 416.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 92607033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).