6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C16H16N8O2 — CID 155560668

IUPAC6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cncn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C16H16N8O2/c1-2-19-16(26)23-14-6-13(24-10-18-9-21-24)12(8-20-14)15(25)22-11-4-3-5-17-7-11/h3-10H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
InChIKeyWMNWUDVVQXRJTE-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.45
Rot. Bonds5

About 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 155560668) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID155560668
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cncn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C16H16N8O2/c1-2-19-16(26)23-14-6-13(24-10-18-9-21-24)12(8-20-14)15(25)22-11-4-3-5-17-7-11/h3-10H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
InChIKeyWMNWUDVVQXRJTE-UHFFFAOYSA-N
XLogP1.45
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 155560668) is 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CCNC(=O)Nc1cc(-n2cncn2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is WMNWUDVVQXRJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-2-19-16(26)23-14-6-13(24-10-18-9-21-24)12(8-20-14)15(25)22-11-4-3-5-17-7-11/h3-10H,2H2,1H3,(H,22,25)(H2,19,20,23,26).
What are the key properties of 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 155560668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).