6-(hexylamino)pyridine-3-carboxamide

C12H19N3O — CID 112722796

IUPAC6-(hexylamino)pyridine-3-carboxamide
SMILESCCCCCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-8-14-11-7-6-10(9-15-11)12(13)16/h6-7,9H,2-5,8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyUZDTZYCDFYSUFS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds7

About 6-(hexylamino)pyridine-3-carboxamide

6-(hexylamino)pyridine-3-carboxamide (PubChem CID 112722796) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(hexylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hexylamino)pyridine-3-carboxamide
PubChem CID112722796
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(hexylamino)pyridine-3-carboxamide
SMILESCCCCCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H19N3O/c1-2-3-4-5-8-14-11-7-6-10(9-15-11)12(13)16/h6-7,9H,2-5,8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyUZDTZYCDFYSUFS-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
2-N-hexylpyridine-2,5-diamine
CID 21487111
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819

Frequently Asked Questions

What is the IUPAC name of 6-(hexylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(hexylamino)pyridine-3-carboxamide (CID 112722796) is 6-(hexylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(hexylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(hexylamino)pyridine-3-carboxamide is CCCCCCNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(hexylamino)pyridine-3-carboxamide?
The InChIKey is UZDTZYCDFYSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-5-8-14-11-7-6-10(9-15-11)12(13)16/h6-7,9H,2-5,8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 6-(hexylamino)pyridine-3-carboxamide?
6-(hexylamino)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexylamino)pyridine-3-carboxamide is sourced from PubChem (CID 112722796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).