5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide

C19H14N6O2 — CID 154841045

IUPAC5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C19H14N6O2/c26-19(24-14-6-9-18(22-10-14)25-13-20-12-23-25)17-8-7-16(11-21-17)27-15-4-2-1-3-5-15/h1-13H,(H,24,26)
InChIKeyFBBKWDKTMBADBA-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.10
Rot. Bonds5

About 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide

5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 154841045) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID154841045
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C19H14N6O2/c26-19(24-14-6-9-18(22-10-14)25-13-20-12-23-25)17-8-7-16(11-21-17)27-15-4-2-1-3-5-15/h1-13H,(H,24,26)
InChIKeyFBBKWDKTMBADBA-UHFFFAOYSA-N
XLogP3.10
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
CID 51089003
3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 104741251
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
5-(cyclopropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109180189
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 95145415
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 154841045) is 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Oc2ccccc2)cn1.
What is the InChIKey of 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is FBBKWDKTMBADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c26-19(24-14-6-9-18(22-10-14)25-13-20-12-23-25)17-8-7-16(11-21-17)27-15-4-2-1-3-5-15/h1-13H,(H,24,26).
What are the key properties of 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 154841045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).