2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

C15H15N5O3 — CID 158700007

IUPAC2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc(N)c1C(=O)O.Cc1ccnc2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O.C7H8N2O2/c1-5-2-3-9-7-6(5)8(12)11-4-10-7;1-4-2-3-9-6(8)5(4)7(10)11/h2-4H,1H3,(H,9,10,11,12);2-3H,1H3,(H2,8,9)(H,10,11)
InChIKeyIHKQTVBOTHXVKH-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.30
Rot. Bonds1

About 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158700007) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID158700007
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc(N)c1C(=O)O.Cc1ccnc2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O.C7H8N2O2/c1-5-2-3-9-7-6(5)8(12)11-4-10-7;1-4-2-3-9-6(8)5(4)7(10)11/h2-4H,1H3,(H,9,10,11,12);2-3H,1H3,(H2,8,9)(H,10,11)
InChIKeyIHKQTVBOTHXVKH-UHFFFAOYSA-N
XLogP1.30
TPSA134.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 158700007) is 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1ccnc(N)c1C(=O)O.Cc1ccnc2nc[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IHKQTVBOTHXVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.C7H8N2O2/c1-5-2-3-9-7-6(5)8(12)11-4-10-7;1-4-2-3-9-6(8)5(4)7(10)11/h2-4H,1H3,(H,9,10,11,12);2-3H,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 313.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpyridine-3-carboxylic acid;5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158700007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).