6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid

C21H21N5O4 — CID 129276637

IUPAC6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(C(=O)O)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H21N5O4/c1-11-15-10-23-21(24-16-8-7-13(9-22-16)20(29)30)25-18(15)26(14-5-3-4-6-14)19(28)17(11)12(2)27/h7-10,14H,3-6H2,1-2H3,(H,29,30)(H,22,23,24,25)
InChIKeySHSYDKNVKPOYGS-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.25
Rot. Bonds5

About 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid

6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 129276637) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID129276637
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(C(=O)O)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H21N5O4/c1-11-15-10-23-21(24-16-8-7-13(9-22-16)20(29)30)25-18(15)26(14-5-3-4-6-14)19(28)17(11)12(2)27/h7-10,14H,3-6H2,1-2H3,(H,29,30)(H,22,23,24,25)
InChIKeySHSYDKNVKPOYGS-UHFFFAOYSA-N
XLogP3.25
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid (CID 129276637) is 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid is CC(=O)c1c(C)c2cnc(Nc3ccc(C(=O)O)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is SHSYDKNVKPOYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-11-15-10-23-21(24-16-8-7-13(9-22-16)20(29)30)25-18(15)26(14-5-3-4-6-14)19(28)17(11)12(2)27/h7-10,14H,3-6H2,1-2H3,(H,29,30)(H,22,23,24,25).
What are the key properties of 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid?
6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 129276637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).