2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C16H17N7O2 — CID 44572001

IUPAC2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NC)n2n1
InChIInChI=1S/C16H17N7O2/c1-3-19-16(25)21-15-20-13-8-11(10-5-4-6-18-9-10)7-12(14(24)17-2)23(13)22-15/h4-9H,3H2,1-2H3,(H,17,24)(H2,19,21,22,25)
InChIKeyRNWKNVWAMAGDSM-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.29
Rot. Bonds4

About 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 44572001) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID44572001
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NC)n2n1
InChIInChI=1S/C16H17N7O2/c1-3-19-16(25)21-15-20-13-8-11(10-5-4-6-18-9-10)7-12(14(24)17-2)23(13)22-15/h4-9H,3H2,1-2H3,(H,17,24)(H2,19,21,22,25)
InChIKeyRNWKNVWAMAGDSM-UHFFFAOYSA-N
XLogP1.29
TPSA113.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 44572001) is 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NC)n2n1.
What is the InChIKey of 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is RNWKNVWAMAGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-3-19-16(25)21-15-20-13-8-11(10-5-4-6-18-9-10)7-12(14(24)17-2)23(13)22-15/h4-9H,3H2,1-2H3,(H,17,24)(H2,19,21,22,25).
What are the key properties of 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-N-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 44572001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).