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

C11H10Cl2N2O — CID 115661799

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

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

2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide (PubChem CID 115661799) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
PubChem CID115661799
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
SMILESC#CCC(C)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-3-4-7(2)14-11(16)8-5-9(12)15-10(13)6-8/h1,5-7H,4H2,2H3,(H,14,16)
InChIKeyPXKQFAYVRDFNAG-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

3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
CID 103579292
4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
CID 115665138
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide (CID 115661799) is 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide is C#CCC(C)NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide?
The InChIKey is PXKQFAYVRDFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-3-4-7(2)14-11(16)8-5-9(12)15-10(13)6-8/h1,5-7H,4H2,2H3,(H,14,16).
What are the key properties of 2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide?
2,6-dichloro-N-pent-4-yn-2-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-4-yn-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 115661799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).