2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C20H25N5O3 — CID 70725136

IUPAC2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(=O)[nH]1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)19-22-10-15(17(27)24-19)18(28)25(11-13-6-4-5-9-21-13)12-14-7-8-16(26)23-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,23,26)(H,22,24,27)/t14-/m0/s1
InChIKeyJMQARGWPXXADJE-AWEZNQCLSA-N
MW383.45 g/mol
LogP1.38
Rot. Bonds5

About 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70725136) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70725136
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(=O)[nH]1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)19-22-10-15(17(27)24-19)18(28)25(11-13-6-4-5-9-21-13)12-14-7-8-16(26)23-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,23,26)(H,22,24,27)/t14-/m0/s1
InChIKeyJMQARGWPXXADJE-AWEZNQCLSA-N
XLogP1.38
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 70719764
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 155491458
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
CID 70736934
6-chloro-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 171387881
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503298
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 72850195
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 135102204
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91662409

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 70725136) is 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is JMQARGWPXXADJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,3)19-22-10-15(17(27)24-19)18(28)25(11-13-6-4-5-9-21-13)12-14-7-8-16(26)23-14/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,23,26)(H,22,24,27)/t14-/m0/s1.
What are the key properties of 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70725136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).