N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide

C15H23N3O2 — CID 115306498

IUPACN-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cncc(O)c1
InChIInChI=1S/C15H23N3O2/c19-14-9-12(10-16-11-14)15(20)18-8-7-17-13-5-3-1-2-4-6-13/h9-11,13,17,19H,1-8H2,(H,18,20)
InChIKeyVMTHHCFLGBMHGV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 115306498) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID115306498
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cncc(O)c1
InChIInChI=1S/C15H23N3O2/c19-14-9-12(10-16-11-14)15(20)18-8-7-17-13-5-3-1-2-4-6-13/h9-11,13,17,19H,1-8H2,(H,18,20)
InChIKeyVMTHHCFLGBMHGV-UHFFFAOYSA-N
XLogP1.83
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330
5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 115620341
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide (CID 115306498) is N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide is O=C(NCCNC1CCCCCC1)c1cncc(O)c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is VMTHHCFLGBMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-9-12(10-16-11-14)15(20)18-8-7-17-13-5-3-1-2-4-6-13/h9-11,13,17,19H,1-8H2,(H,18,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 115306498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).