5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide

C11H16N4O2 — CID 114406478

IUPAC5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(N2CCCOCC2)n1
InChIInChI=1S/C11H16N4O2/c12-8-2-3-9(10(13)16)14-11(8)15-4-1-6-17-7-5-15/h2-3H,1,4-7,12H2,(H2,13,16)
InChIKeyKFUFKHYODUCIBN-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.01
Rot. Bonds2

About 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide

5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide (PubChem CID 114406478) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
PubChem CID114406478
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(N2CCCOCC2)n1
InChIInChI=1S/C11H16N4O2/c12-8-2-3-9(10(13)16)14-11(8)15-4-1-6-17-7-5-15/h2-3H,1,4-7,12H2,(H2,13,16)
InChIKeyKFUFKHYODUCIBN-UHFFFAOYSA-N
XLogP-0.01
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2-methylmorpholin-4-yl)pyridine-2-carboxamide
CID 114404954
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
5-amino-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 114405623
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
5-amino-6-(2,2-dimethylthiomorpholin-4-yl)pyridine-2-carboxamide
CID 114408099
methyl 5-amino-6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyridine-2-carboxylate
CID 114407326
5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 114405515
5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid
CID 114196709
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
CID 114404917

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide (CID 114406478) is 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(N2CCCOCC2)n1.
What is the InChIKey of 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide?
The InChIKey is KFUFKHYODUCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8-2-3-9(10(13)16)14-11(8)15-4-1-6-17-7-5-15/h2-3H,1,4-7,12H2,(H2,13,16).
What are the key properties of 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide?
5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114406478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).