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

C17H15N7O3 — CID 43044016

IUPAC1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3nnc4ccccn34)cnc2n(C)c1=O
InChIInChI=1S/C17H15N7O3/c1-22-14-11(16(26)23(2)17(22)27)7-10(8-18-14)15(25)19-9-13-21-20-12-5-3-4-6-24(12)13/h3-8H,9H2,1-2H3,(H,19,25)
InChIKeyPMCBEOUBTSETFG-UHFFFAOYSA-N
MW365.35 g/mol
LogP-0.40
Rot. Bonds3

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

1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43044016) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID43044016
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3nnc4ccccn34)cnc2n(C)c1=O
InChIInChI=1S/C17H15N7O3/c1-22-14-11(16(26)23(2)17(22)27)7-10(8-18-14)15(25)19-9-13-21-20-12-5-3-4-6-24(12)13/h3-8H,9H2,1-2H3,(H,19,25)
InChIKeyPMCBEOUBTSETFG-UHFFFAOYSA-N
XLogP-0.40
TPSA116.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517821
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
1-benzyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 31307796
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
N-[3-(N-ethylanilino)propyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37316730
N-[(2S)-2-hydroxy-4-methylpentyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 97014371
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46479986

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 43044016) is 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCc3nnc4ccccn34)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PMCBEOUBTSETFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-22-14-11(16(26)23(2)17(22)27)7-10(8-18-14)15(25)19-9-13-21-20-12-5-3-4-6-24(12)13/h3-8H,9H2,1-2H3,(H,19,25).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 365.35 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43044016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).