N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide

C21H16N4O2S — CID 91625934

IUPACN-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C21H16N4O2S/c26-20(16-4-6-18(7-5-16)27-21-23-10-11-28-21)25-13-15-3-8-19(24-12-15)17-2-1-9-22-14-17/h1-12,14H,13H2,(H,25,26)
InChIKeyWGXCNOFXICESRM-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.32
Rot. Bonds6

About N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide

N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 91625934) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID91625934
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
SMILESO=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C21H16N4O2S/c26-20(16-4-6-18(7-5-16)27-21-23-10-11-28-21)25-13-15-3-8-19(24-12-15)17-2-1-9-22-14-17/h1-12,14H,13H2,(H,25,26)
InChIKeyWGXCNOFXICESRM-UHFFFAOYSA-N
XLogP4.32
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
3,5-ditert-butyl-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]benzamide
CID 121145013
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695
2,2-diphenyl-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]acetamide
CID 91813954
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide (CID 91625934) is N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide is O=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is WGXCNOFXICESRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-20(16-4-6-18(7-5-16)27-21-23-10-11-28-21)25-13-15-3-8-19(24-12-15)17-2-1-9-22-14-17/h1-12,14H,13H2,(H,25,26).
What are the key properties of N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide?
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 388.45 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 N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 91625934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).