2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C21H24N6O3 — CID 55980838

IUPAC2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccnc3N3CCCCC3)cnc21
InChIInChI=1S/C21H24N6O3/c1-2-9-27-17-15(20(29)25-21(27)30)12-14(13-23-17)19(28)24-16-7-6-8-22-18(16)26-10-4-3-5-11-26/h6-8,12-13H,2-5,9-11H2,1H3,(H,24,28)(H,25,29,30)
InChIKeyIWVNDTOMVRQTJH-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.13
Rot. Bonds5

About 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55980838) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55980838
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccnc3N3CCCCC3)cnc21
InChIInChI=1S/C21H24N6O3/c1-2-9-27-17-15(20(29)25-21(27)30)12-14(13-23-17)19(28)24-16-7-6-8-22-18(16)26-10-4-3-5-11-26/h6-8,12-13H,2-5,9-11H2,1H3,(H,24,28)(H,25,29,30)
InChIKeyIWVNDTOMVRQTJH-UHFFFAOYSA-N
XLogP2.13
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 55980838) is 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccnc3N3CCCCC3)cnc21.
What is the InChIKey of 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IWVNDTOMVRQTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-2-9-27-17-15(20(29)25-21(27)30)12-14(13-23-17)19(28)24-16-7-6-8-22-18(16)26-10-4-3-5-11-26/h6-8,12-13H,2-5,9-11H2,1H3,(H,24,28)(H,25,29,30).
What are the key properties of 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55980838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).