4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide

C15H20N6O2 — CID 133470390

IUPAC4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCc1nc(CN2CCCN(c3ccncc3C(N)=O)CC2)no1
InChIInChI=1S/C15H20N6O2/c1-11-18-14(19-23-11)10-20-5-2-6-21(8-7-20)13-3-4-17-9-12(13)15(16)22/h3-4,9H,2,5-8,10H2,1H3,(H2,16,22)
InChIKeyYYUUGHTXLOUAOU-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.58
Rot. Bonds4

About 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide

4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 133470390) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID133470390
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCc1nc(CN2CCCN(c3ccncc3C(N)=O)CC2)no1
InChIInChI=1S/C15H20N6O2/c1-11-18-14(19-23-11)10-20-5-2-6-21(8-7-20)13-3-4-17-9-12(13)15(16)22/h3-4,9H,2,5-8,10H2,1H3,(H2,16,22)
InChIKeyYYUUGHTXLOUAOU-UHFFFAOYSA-N
XLogP0.58
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 133470390) is 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide is Cc1nc(CN2CCCN(c3ccncc3C(N)=O)CC2)no1.
What is the InChIKey of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is YYUUGHTXLOUAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-18-14(19-23-11)10-20-5-2-6-21(8-7-20)13-3-4-17-9-12(13)15(16)22/h3-4,9H,2,5-8,10H2,1H3,(H2,16,22).
What are the key properties of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide?
4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).