(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C18H27N5O2 — CID 124572011

IUPAC(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ncc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)cn1
InChIInChI=1S/C18H27N5O2/c1-3-16-19-9-14(10-20-16)21-18(25)13-8-17(24)23(11-13)12-15-6-5-7-22(15)4-2/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,21,25)/t13-,15+/m1/s1
InChIKeyQSWONKKPNVVFQZ-HIFRSBDPSA-N
MW345.45 g/mol
LogP1.31
Rot. Bonds6

About (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124572011) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124572011
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ncc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)cn1
InChIInChI=1S/C18H27N5O2/c1-3-16-19-9-14(10-20-16)21-18(25)13-8-17(24)23(11-13)12-15-6-5-7-22(15)4-2/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,21,25)/t13-,15+/m1/s1
InChIKeyQSWONKKPNVVFQZ-HIFRSBDPSA-N
XLogP1.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572012
(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 100844968
(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 96533277
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119419140
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 119560421
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124614714
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 124572011) is (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ncc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)cn1.
What is the InChIKey of (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QSWONKKPNVVFQZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-16-19-9-14(10-20-16)21-18(25)13-8-17(24)23(11-13)12-15-6-5-7-22(15)4-2/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,21,25)/t13-,15+/m1/s1.
What are the key properties of (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124572011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).