6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide

C19H21N5O3 — CID 55880611

IUPAC6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(OCCn3cncn3)c2)cn1
InChIInChI=1S/C19H21N5O3/c1-14(2)27-18-7-6-15(11-21-18)19(25)23-16-4-3-5-17(10-16)26-9-8-24-13-20-12-22-24/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)
InChIKeyBEPVNMSNKJHDCR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.79
Rot. Bonds8

About 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide

6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide (PubChem CID 55880611) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
PubChem CID55880611
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(OCCn3cncn3)c2)cn1
InChIInChI=1S/C19H21N5O3/c1-14(2)27-18-7-6-15(11-21-18)19(25)23-16-4-3-5-17(10-16)26-9-8-24-13-20-12-22-24/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)
InChIKeyBEPVNMSNKJHDCR-UHFFFAOYSA-N
XLogP2.79
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55881119
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55882008
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
CID 120798729
3-(2-methylpiperidin-1-yl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55881490
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide (CID 55880611) is 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cccc(OCCn3cncn3)c2)cn1.
What is the InChIKey of 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is BEPVNMSNKJHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-14(2)27-18-7-6-15(11-21-18)19(25)23-16-4-3-5-17(10-16)26-9-8-24-13-20-12-22-24/h3-7,10-14H,8-9H2,1-2H3,(H,23,25).
What are the key properties of 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide?
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).