4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide

C22H20N4O — CID 71705594

IUPAC4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C22H20N4O/c27-21(14-6-10-17-8-2-1-3-9-17)23-19-12-7-11-18(16-19)22-25-24-20-13-4-5-15-26(20)22/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,23,27)
InChIKeyLXYCHSJBXDPFEP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.36
Rot. Bonds6

About 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide

4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide (PubChem CID 71705594) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide
PubChem CID71705594
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(-c2nnc3ccccn23)c1
InChIInChI=1S/C22H20N4O/c27-21(14-6-10-17-8-2-1-3-9-17)23-19-12-7-11-18(16-19)22-25-24-20-13-4-5-15-26(20)22/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,23,27)
InChIKeyLXYCHSJBXDPFEP-UHFFFAOYSA-N
XLogP4.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 71701241
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 71308104
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
methyl 3-[3-(4-phenylbutanoylamino)phenyl]prop-2-enoate
CID 66958346
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbutanamide
CID 121028737
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
CID 50802173
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide?
The IUPAC name of 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide (CID 71705594) is 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide is O=C(CCCc1ccccc1)Nc1cccc(-c2nnc3ccccn23)c1.
What is the InChIKey of 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide?
The InChIKey is LXYCHSJBXDPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(14-6-10-17-8-2-1-3-9-17)23-19-12-7-11-18(16-19)22-25-24-20-13-4-5-15-26(20)22/h1-5,7-9,11-13,15-16H,6,10,14H2,(H,23,27).
What are the key properties of 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide?
4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide has a molecular weight of 356.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide is sourced from PubChem (CID 71705594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).