5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide

C12H18ClN3O — CID 114089470

IUPAC5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H18ClN3O/c1-3-5-8(4-2)16-12(17)9-6-11(13)15-7-10(9)14/h6-8H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyZSMCUOIBTXWXJH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.63
Rot. Bonds5

About 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide

5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide (PubChem CID 114089470) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
PubChem CID114089470
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H18ClN3O/c1-3-5-8(4-2)16-12(17)9-6-11(13)15-7-10(9)14/h6-8H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyZSMCUOIBTXWXJH-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
2-amino-3-chloro-N-hexan-3-yl-5-nitrobenzamide
CID 107200144

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide (CID 114089470) is 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide is CCCC(CC)NC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide?
The InChIKey is ZSMCUOIBTXWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-5-8(4-2)16-12(17)9-6-11(13)15-7-10(9)14/h6-8H,3-5,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide?
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 114089470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).