2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

C22H25N5O2 — CID 75399246

IUPAC2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1
InChIInChI=1S/C22H25N5O2/c1-2-27-15-24-26-21(27)16-7-6-8-18(13-16)25-22(28)17-11-12-23-20(14-17)29-19-9-4-3-5-10-19/h6-8,11-15,19H,2-5,9-10H2,1H3,(H,25,28)
InChIKeyBIYHPDOBMMJJKK-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.32
Rot. Bonds6

About 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 75399246) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID75399246
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1
InChIInChI=1S/C22H25N5O2/c1-2-27-15-24-26-21(27)16-7-6-8-18(13-16)25-22(28)17-11-12-23-20(14-17)29-19-9-4-3-5-10-19/h6-8,11-15,19H,2-5,9-10H2,1H3,(H,25,28)
InChIKeyBIYHPDOBMMJJKK-UHFFFAOYSA-N
XLogP4.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860
3-bromo-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 78875761
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32579219
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119856952
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 32577002

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (CID 75399246) is 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1.
What is the InChIKey of 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is BIYHPDOBMMJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-27-15-24-26-21(27)16-7-6-8-18(13-16)25-22(28)17-11-12-23-20(14-17)29-19-9-4-3-5-10-19/h6-8,11-15,19H,2-5,9-10H2,1H3,(H,25,28).
What are the key properties of 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 75399246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).