N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C15H19N5O3 — CID 164634881

IUPACN-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C15H19N5O3/c1-2-23-13-8-22-7-6-11(13)19-15(21)12-4-3-5-14(18-12)20-9-16-17-10-20/h3-5,9-11,13H,2,6-8H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyWKUFWFLARVMWAH-AAEUAGOBSA-N
MW317.35 g/mol
LogP0.59
Rot. Bonds5

About N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 164634881) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID164634881
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C15H19N5O3/c1-2-23-13-8-22-7-6-11(13)19-15(21)12-4-3-5-14(18-12)20-9-16-17-10-20/h3-5,9-11,13H,2,6-8H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyWKUFWFLARVMWAH-AAEUAGOBSA-N
XLogP0.59
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 164634881) is N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is WKUFWFLARVMWAH-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-2-23-13-8-22-7-6-11(13)19-15(21)12-4-3-5-14(18-12)20-9-16-17-10-20/h3-5,9-11,13H,2,6-8H2,1H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-ethoxyoxan-4-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 164634881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).