(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C17H22N6O2 — CID 136861472

IUPAC(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1
InChIInChI=1S/C17H22N6O2/c18-13-10-15(24)22-14(21-13)5-7-20-17(25)16(23-8-1-2-9-23)12-4-3-6-19-11-12/h3-4,6,10-11,16H,1-2,5,7-9H2,(H,20,25)(H3,18,21,22,24)/t16-/m0/s1
InChIKeyCTGWISLZQUBJFM-INIZCTEOSA-N
MW342.40 g/mol
LogP0.24
Rot. Bonds6

About (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 136861472) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID136861472
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESNc1cc(=O)[nH]c(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1
InChIInChI=1S/C17H22N6O2/c18-13-10-15(24)22-14(21-13)5-7-20-17(25)16(23-8-1-2-9-23)12-4-3-6-19-11-12/h3-4,6,10-11,16H,1-2,5,7-9H2,(H,20,25)(H3,18,21,22,24)/t16-/m0/s1
InChIKeyCTGWISLZQUBJFM-INIZCTEOSA-N
XLogP0.24
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
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N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 136861472) is (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is Nc1cc(=O)[nH]c(CCNC(=O)[C@H](c2cccnc2)N2CCCC2)n1.
What is the InChIKey of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is CTGWISLZQUBJFM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-13-10-15(24)22-14(21-13)5-7-20-17(25)16(23-8-1-2-9-23)12-4-3-6-19-11-12/h3-4,6,10-11,16H,1-2,5,7-9H2,(H,20,25)(H3,18,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 342.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 136861472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).