(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide

C15H24N4O2 — CID 164639204

IUPAC(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(Cc2cnc(CCOC)nc2)C1
InChIInChI=1S/C15H24N4O2/c1-3-16-15(20)13-4-6-19(11-13)10-12-8-17-14(18-9-12)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyAIXNSSPQJLPGSJ-ZDUSSCGKSA-N
MW292.38 g/mol
LogP0.62
Rot. Bonds7

About (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide

(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 164639204) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID164639204
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(Cc2cnc(CCOC)nc2)C1
InChIInChI=1S/C15H24N4O2/c1-3-16-15(20)13-4-6-19(11-13)10-12-8-17-14(18-9-12)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyAIXNSSPQJLPGSJ-ZDUSSCGKSA-N
XLogP0.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
4-(Methoxymethyl)-1-(pyrimidin-2-YL)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124052054
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249
(3aR*,6aR*)-2-(cyclopropylcarbonyl)-N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50948185
1-Ethyl-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50950250
1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081162
1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081163
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
1-((4-Amino-2-methylpyrimidin-5-yl)methyl)pyrrolidine-3-carboxylic acid
CID 166434688
N-(2-Methoxyethyl)-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 20863909
N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959348
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide
CID 91922859

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide (CID 164639204) is (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(Cc2cnc(CCOC)nc2)C1.
What is the InChIKey of (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is AIXNSSPQJLPGSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-16-15(20)13-4-6-19(11-13)10-12-8-17-14(18-9-12)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164639204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).