5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid

C14H13N5O5 — CID 58710426

IUPAC5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1
InChIInChI=1S/C14H13N5O5/c1-6(9-4-8(14(22)23)19-24-9)17-13(21)11-7-2-3-10(20)18-12(7)16-5-15-11/h4-6H,2-3H2,1H3,(H,17,21)(H,22,23)(H,15,16,18,20)/t6-/m1/s1
InChIKeyJRUDPKGZVXXUKP-ZCFIWIBFSA-N
MW331.29 g/mol
LogP0.54
Rot. Bonds4

About 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid

5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 58710426) has the molecular formula C14H13N5O5 and a molecular weight of 331.29 g/mol. Its IUPAC name is 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID58710426
Molecular FormulaC14H13N5O5
Molecular Weight331.29 g/mol
Exact Mass331.09
IUPAC Name5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1
InChIInChI=1S/C14H13N5O5/c1-6(9-4-8(14(22)23)19-24-9)17-13(21)11-7-2-3-10(20)18-12(7)16-5-15-11/h4-6H,2-3H2,1H3,(H,17,21)(H,22,23)(H,15,16,18,20)/t6-/m1/s1
InChIKeyJRUDPKGZVXXUKP-ZCFIWIBFSA-N
XLogP0.54
TPSA147.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid (CID 58710426) is 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid is C[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C(=O)O)no1.
What is the InChIKey of 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is JRUDPKGZVXXUKP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H13N5O5/c1-6(9-4-8(14(22)23)19-24-9)17-13(21)11-7-2-3-10(20)18-12(7)16-5-15-11/h4-6H,2-3H2,1H3,(H,17,21)(H,22,23)(H,15,16,18,20)/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid?
5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 331.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 58710426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).