(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide

C19H19N9O2 — CID 74223824

IUPAC(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide
SMILESCC[C@@H](Nc1nc(Nc2cccc(-n3nccn3)c2)c2c(=O)[nH]ccc2n1)C(N)=O
InChIInChI=1S/C19H19N9O2/c1-2-13(16(20)29)25-19-26-14-6-7-21-18(30)15(14)17(27-19)24-11-4-3-5-12(10-11)28-22-8-9-23-28/h3-10,13H,2H2,1H3,(H2,20,29)(H,21,30)(H2,24,25,26,27)/t13-/m1/s1
InChIKeyOPSCTXFOCYASHZ-CYBMUJFWSA-N
MW405.42 g/mol
LogP1.32
Rot. Bonds7

About (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide

(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide (PubChem CID 74223824) has the molecular formula C19H19N9O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide
PubChem CID74223824
Molecular FormulaC19H19N9O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide
SMILESCC[C@@H](Nc1nc(Nc2cccc(-n3nccn3)c2)c2c(=O)[nH]ccc2n1)C(N)=O
InChIInChI=1S/C19H19N9O2/c1-2-13(16(20)29)25-19-26-14-6-7-21-18(30)15(14)17(27-19)24-11-4-3-5-12(10-11)28-22-8-9-23-28/h3-10,13H,2H2,1H3,(H2,20,29)(H,21,30)(H2,24,25,26,27)/t13-/m1/s1
InChIKeyOPSCTXFOCYASHZ-CYBMUJFWSA-N
XLogP1.32
TPSA156.50 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide (CID 74223824) is (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide is CC[C@@H](Nc1nc(Nc2cccc(-n3nccn3)c2)c2c(=O)[nH]ccc2n1)C(N)=O.
What is the InChIKey of (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide?
The InChIKey is OPSCTXFOCYASHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N9O2/c1-2-13(16(20)29)25-19-26-14-6-7-21-18(30)15(14)17(27-19)24-11-4-3-5-12(10-11)28-22-8-9-23-28/h3-10,13H,2H2,1H3,(H2,20,29)(H,21,30)(H2,24,25,26,27)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide?
(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide has a molecular weight of 405.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide is sourced from PubChem (CID 74223824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).