N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide

C22H21N7O2 — CID 135347692

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccnnc3)c2)n1
InChIInChI=1S/C22H21N7O2/c1-15(2)29-14-25-28-21(29)19-7-4-8-20(26-19)27-22(30)17-5-3-6-18(11-17)31-13-16-9-10-23-24-12-16/h3-12,14-15H,13H2,1-2H3,(H,26,27,30)
InChIKeyJJCBRSKNQLQSKD-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.54
Rot. Bonds7

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide (PubChem CID 135347692) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
PubChem CID135347692
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccnnc3)c2)n1
InChIInChI=1S/C22H21N7O2/c1-15(2)29-14-25-28-21(29)19-7-4-8-20(26-19)27-22(30)17-5-3-6-18(11-17)31-13-16-9-10-23-24-12-16/h3-12,14-15H,13H2,1-2H3,(H,26,27,30)
InChIKeyJJCBRSKNQLQSKD-UHFFFAOYSA-N
XLogP3.54
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide with MolForge

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Related Compounds

ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]oxybenzamide
CID 135348073
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-4-ylbenzene-1,3-dicarboxamide
CID 135347720
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
CID 135347782
2-benzyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-dihydroisoindole-5-carboxamide
CID 137435793
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383
(2,2,2-trifluoroacetyl) 2-[3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenoxy]-6-(trifluoromethyl)pyridine-4-carboxylate
CID 146345576
3-[(5-cyclopropyl-2-pyridinyl)sulfanyl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 135348155
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
N-[2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 135348154
2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
CID 155230978

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide (CID 135347692) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3ccnnc3)c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide?
The InChIKey is JJCBRSKNQLQSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-15(2)29-14-25-28-21(29)19-7-4-8-20(26-19)27-22(30)17-5-3-6-18(11-17)31-13-16-9-10-23-24-12-16/h3-12,14-15H,13H2,1-2H3,(H,26,27,30).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide has a molecular weight of 415.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridazin-4-ylmethoxy)benzamide is sourced from PubChem (CID 135347692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).