2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C19H19N7O3 — CID 134047991

IUPAC2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)c3nnc4ccccn34)cnc21
InChIInChI=1S/C19H19N7O3/c1-3-7-26-16-13(18(28)22-19(26)29)9-12(10-20-16)17(27)21-11(2)15-24-23-14-6-4-5-8-25(14)15/h4-6,8-11H,3,7H2,1-2H3,(H,21,27)(H,22,28,29)
InChIKeyZKLBRTQFDPQCAB-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.03
Rot. Bonds5

About 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134047991) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID134047991
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)c3nnc4ccccn34)cnc21
InChIInChI=1S/C19H19N7O3/c1-3-7-26-16-13(18(28)22-19(26)29)9-12(10-20-16)17(27)21-11(2)15-24-23-14-6-4-5-8-25(14)15/h4-6,8-11H,3,7H2,1-2H3,(H,21,27)(H,22,28,29)
InChIKeyZKLBRTQFDPQCAB-UHFFFAOYSA-N
XLogP1.03
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 134047991) is 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC(C)c3nnc4ccccn34)cnc21.
What is the InChIKey of 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZKLBRTQFDPQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-3-7-26-16-13(18(28)22-19(26)29)9-12(10-20-16)17(27)21-11(2)15-24-23-14-6-4-5-8-25(14)15/h4-6,8-11H,3,7H2,1-2H3,(H,21,27)(H,22,28,29).
What are the key properties of 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134047991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).