(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

C20H16N4O3 — CID 136675986

IUPAC(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C20H16N4O3/c25-18-16-14(12-7-3-1-4-8-12)11-15(19(26)27)22-17(16)23-20(24-18)21-13-9-5-2-6-10-13/h1-11,14H,(H,26,27)(H3,21,22,23,24,25)/t14-/m0/s1
InChIKeyDELWSGYYEVMZRD-AWEZNQCLSA-N
MW360.37 g/mol
LogP3.04
Rot. Bonds4

About (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid

(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 136675986) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID136675986
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESO=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C20H16N4O3/c25-18-16-14(12-7-3-1-4-8-12)11-15(19(26)27)22-17(16)23-20(24-18)21-13-9-5-2-6-10-13/h1-11,14H,(H,26,27)(H3,21,22,23,24,25)/t14-/m0/s1
InChIKeyDELWSGYYEVMZRD-AWEZNQCLSA-N
XLogP3.04
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 136675986) is (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is O=C(O)C1=C[C@@H](c2ccccc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1.
What is the InChIKey of (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is DELWSGYYEVMZRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-18-16-14(12-7-3-1-4-8-12)11-15(19(26)27)22-17(16)23-20(24-18)21-13-9-5-2-6-10-13/h1-11,14H,(H,26,27)(H3,21,22,23,24,25)/t14-/m0/s1.
What are the key properties of (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid?
(5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-anilino-4-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 136675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).