N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide

C17H21N5O2 — CID 25209990

IUPACN-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide
SMILESCOC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m0/s1
InChIKeyBHXYDHWPQIADCG-ZDUSSCGKSA-N
MW327.39 g/mol
LogP2.11
Rot. Bonds5

About N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide

N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide (PubChem CID 25209990) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide
PubChem CID25209990
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide
SMILESCOC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m0/s1
InChIKeyBHXYDHWPQIADCG-ZDUSSCGKSA-N
XLogP2.11
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide (CID 25209990) is N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide is COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccccn2)n1.
What is the InChIKey of N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide?
The InChIKey is BHXYDHWPQIADCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m0/s1.
What are the key properties of N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide?
N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 25209990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).