(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide

C16H22N4O2 — CID 136584964

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C16H22N4O2/c1-10-7-8-17-14(18-10)11(2)19-15(21)13-4-3-9-20(13)16(22)12-5-6-12/h7-8,11-13H,3-6,9H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyJIRSUMXCELPSJG-YUZLPWPTSA-N
MW302.38 g/mol
LogP1.36
Rot. Bonds4

About (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 136584964) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID136584964
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1
InChIInChI=1S/C16H22N4O2/c1-10-7-8-17-14(18-10)11(2)19-15(21)13-4-3-9-20(13)16(22)12-5-6-12/h7-8,11-13H,3-6,9H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyJIRSUMXCELPSJG-YUZLPWPTSA-N
XLogP1.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 136584964) is (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide is Cc1ccnc(C(C)NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JIRSUMXCELPSJG-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-7-8-17-14(18-10)11(2)19-15(21)13-4-3-9-20(13)16(22)12-5-6-12/h7-8,11-13H,3-6,9H2,1-2H3,(H,19,21)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[1-(4-methylpyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136584964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).