6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid

C16H15N5O6S — CID 166224323

IUPAC6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(CNS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)ccc1C(=O)O
InChIInChI=1S/C16H15N5O6S/c1-2-12-10(15(23)24)4-3-8(19-12)6-18-28(26,27)9-5-11-13(17-7-9)20-16(25)21-14(11)22/h3-5,7,18H,2,6H2,1H3,(H,23,24)(H2,17,20,21,22,25)
InChIKeyINNRPZWAOZCACW-UHFFFAOYSA-N
MW405.39 g/mol
LogP-0.25
Rot. Bonds6

About 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid

6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid (PubChem CID 166224323) has the molecular formula C16H15N5O6S and a molecular weight of 405.39 g/mol. Its IUPAC name is 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid
PubChem CID166224323
Molecular FormulaC16H15N5O6S
Molecular Weight405.39 g/mol
Exact Mass405.07
IUPAC Name6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid
SMILESCCc1nc(CNS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)ccc1C(=O)O
InChIInChI=1S/C16H15N5O6S/c1-2-12-10(15(23)24)4-3-8(19-12)6-18-28(26,27)9-5-11-13(17-7-9)20-16(25)21-14(11)22/h3-5,7,18H,2,6H2,1H3,(H,23,24)(H2,17,20,21,22,25)
InChIKeyINNRPZWAOZCACW-UHFFFAOYSA-N
XLogP-0.25
TPSA174.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid?
The IUPAC name of 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid (CID 166224323) is 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid is CCc1nc(CNS(=O)(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)ccc1C(=O)O.
What is the InChIKey of 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid?
The InChIKey is INNRPZWAOZCACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O6S/c1-2-12-10(15(23)24)4-3-8(19-12)6-18-28(26,27)9-5-11-13(17-7-9)20-16(25)21-14(11)22/h3-5,7,18H,2,6H2,1H3,(H,23,24)(H2,17,20,21,22,25).
What are the key properties of 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid?
6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid has a molecular weight of 405.39 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid is sourced from PubChem (CID 166224323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).