(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

C15H24N4O2 — CID 164629545

IUPAC(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CC[C@H](OCC(C)C)C2)cn1
InChIInChI=1S/C15H24N4O2/c1-4-14-16-7-12(8-17-14)18-15(20)19-6-5-13(9-19)21-10-11(2)3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyFPWGVBQDEKSDKN-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.32
Rot. Bonds5

About (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (PubChem CID 164629545) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
PubChem CID164629545
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCCc1ncc(NC(=O)N2CC[C@H](OCC(C)C)C2)cn1
InChIInChI=1S/C15H24N4O2/c1-4-14-16-7-12(8-17-14)18-15(20)19-6-5-13(9-19)21-10-11(2)3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyFPWGVBQDEKSDKN-ZDUSSCGKSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (CID 164629545) is (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is CCc1ncc(NC(=O)N2CC[C@H](OCC(C)C)C2)cn1.
What is the InChIKey of (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The InChIKey is FPWGVBQDEKSDKN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-14-16-7-12(8-17-14)18-15(20)19-6-5-13(9-19)21-10-11(2)3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164629545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).