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

C23H22N6O2 — CID 135347982

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)n1
InChIInChI=1S/C23H22N6O2/c1-16(2)29-15-25-28-22(29)20-9-4-10-21(26-20)27-23(30)18-7-3-8-19(12-18)31-14-17-6-5-11-24-13-17/h3-13,15-16H,14H2,1-2H3,(H,26,27,30)
InChIKeyNMQGOQZLDOUVFH-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.15
Rot. Bonds7

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

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 135347982) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID135347982
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)n1
InChIInChI=1S/C23H22N6O2/c1-16(2)29-15-25-28-22(29)20-9-4-10-21(26-20)27-23(30)18-7-3-8-19(12-18)31-14-17-6-5-11-24-13-17/h3-13,15-16H,14H2,1-2H3,(H,26,27,30)
InChIKeyNMQGOQZLDOUVFH-UHFFFAOYSA-N
XLogP4.15
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 135347982) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is NMQGOQZLDOUVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16(2)29-15-25-28-22(29)20-9-4-10-21(26-20)27-23(30)18-7-3-8-19(12-18)31-14-17-6-5-11-24-13-17/h3-13,15-16H,14H2,1-2H3,(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-(pyridin-3-ylmethoxy)benzamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 135347982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).