3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide

C18H17N5O — CID 134220110

IUPAC3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2cncnc2)ccc1-c1ccnc(N)c1
InChIInChI=1S/C18H17N5O/c19-17-8-14(5-6-23-17)16-3-1-12(15-9-21-11-22-10-15)7-13(16)2-4-18(20)24/h1,3,5-11H,2,4H2,(H2,19,23)(H2,20,24)
InChIKeyRFNSGJMKUTVWTK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.21
Rot. Bonds5

About 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide

3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide (PubChem CID 134220110) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide
PubChem CID134220110
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide
SMILESNC(=O)CCc1cc(-c2cncnc2)ccc1-c1ccnc(N)c1
InChIInChI=1S/C18H17N5O/c19-17-8-14(5-6-23-17)16-3-1-12(15-9-21-11-22-10-15)7-13(16)2-4-18(20)24/h1,3,5-11H,2,4H2,(H2,19,23)(H2,20,24)
InChIKeyRFNSGJMKUTVWTK-UHFFFAOYSA-N
XLogP2.21
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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US9205085, Msx-197
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US9205085, Msx-222
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide?
The IUPAC name of 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide (CID 134220110) is 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide.
What is the SMILES notation for 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide?
The canonical SMILES for 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide is NC(=O)CCc1cc(-c2cncnc2)ccc1-c1ccnc(N)c1.
What is the InChIKey of 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide?
The InChIKey is RFNSGJMKUTVWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-8-14(5-6-23-17)16-3-1-12(15-9-21-11-22-10-15)7-13(16)2-4-18(20)24/h1,3,5-11H,2,4H2,(H2,19,23)(H2,20,24).
What are the key properties of 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide?
3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide has a molecular weight of 319.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-4-pyridinyl)-5-pyrimidin-5-ylphenyl]propanamide is sourced from PubChem (CID 134220110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).