(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide

C19H23N5O3 — CID 95151458

IUPAC(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN(C)c2cnccn2)cc1
InChIInChI=1S/C19H23N5O3/c1-23(17-12-20-9-10-21-17)13-18(25)24-11-3-4-16(24)19(26)22-14-5-7-15(27-2)8-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyXEFLFCYBRHCOSY-INIZCTEOSA-N
MW369.43 g/mol
LogP1.55
Rot. Bonds6

About (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 95151458) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID95151458
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN(C)c2cnccn2)cc1
InChIInChI=1S/C19H23N5O3/c1-23(17-12-20-9-10-21-17)13-18(25)24-11-3-4-16(24)19(26)22-14-5-7-15(27-2)8-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyXEFLFCYBRHCOSY-INIZCTEOSA-N
XLogP1.55
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide (CID 95151458) is (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN(C)c2cnccn2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is XEFLFCYBRHCOSY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23(17-12-20-9-10-21-17)13-18(25)24-11-3-4-16(24)19(26)22-14-5-7-15(27-2)8-6-14/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95151458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).