3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide

C12H16Cl2N2O — CID 62200974

IUPAC3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
SMILESCCCCC(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-3-4-5-8(2)15-12(17)11-9(13)6-7-10(14)16-11/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyKHNNIRJFTSTLMZ-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.70
Rot. Bonds5

About 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide

3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide (PubChem CID 62200974) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
PubChem CID62200974
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
SMILESCCCCC(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-3-4-5-8(2)15-12(17)11-9(13)6-7-10(14)16-11/h6-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyKHNNIRJFTSTLMZ-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 103622853
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
6-amino-3-chloro-N-[1-(diethylamino)propan-2-yl]pyridine-2-carboxamide
CID 62161278
2-[(3,6-dichloropyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 103602658
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide (CID 62200974) is 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide is CCCCC(C)NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide?
The InChIKey is KHNNIRJFTSTLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-4-5-8(2)15-12(17)11-9(13)6-7-10(14)16-11/h6-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide?
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide has a molecular weight of 275.18 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 62200974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).