2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide

C11H10Cl2N2O — CID 103579292

IUPAC2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
SMILESC#CC(CC)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-3-8(4-2)14-11(16)7-5-9(12)15-10(13)6-7/h1,5-6,8H,4H2,2H3,(H,14,16)
InChIKeyKJKSFUXFBVSSQU-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.53
Rot. Bonds3

About 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide

2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide (PubChem CID 103579292) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
PubChem CID103579292
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
SMILESC#CC(CC)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-3-8(4-2)14-11(16)7-5-9(12)15-10(13)6-7/h1,5-6,8H,4H2,2H3,(H,14,16)
InChIKeyKJKSFUXFBVSSQU-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396
3,5-dihydroxy-N-pent-1-yn-3-ylbenzamide
CID 103579335
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
2-chloro-N-(1-cyanobutyl)-6-methylpyridine-4-carboxamide
CID 104952754
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide (CID 103579292) is 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide is C#CC(CC)NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide?
The InChIKey is KJKSFUXFBVSSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-3-8(4-2)14-11(16)7-5-9(12)15-10(13)6-7/h1,5-6,8H,4H2,2H3,(H,14,16).
What are the key properties of 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide?
2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide has a molecular weight of 257.12 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 103579292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).