6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C18H25N5O2 — CID 26391523

IUPAC6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(N3CCCCCC3)nc2)no1
InChIInChI=1S/C18H25N5O2/c1-13(2)18-21-15(22-25-18)12-20-17(24)14-7-8-16(19-11-14)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyMALDKDDSWBSCDM-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.90
Rot. Bonds5

About 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 26391523) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID26391523
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(N3CCCCCC3)nc2)no1
InChIInChI=1S/C18H25N5O2/c1-13(2)18-21-15(22-25-18)12-20-17(24)14-7-8-16(19-11-14)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyMALDKDDSWBSCDM-UHFFFAOYSA-N
XLogP2.90
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(2-hydroxyethyl)piperidin-1-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56743777
6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56760533
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56753867
6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 95211677
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 26391523) is 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is CC(C)c1nc(CNC(=O)c2ccc(N3CCCCCC3)nc2)no1.
What is the InChIKey of 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MALDKDDSWBSCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)18-21-15(22-25-18)12-20-17(24)14-7-8-16(19-11-14)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26391523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).