N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide

C10H8Cl2N2O — CID 115866916

IUPACN-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
SMILESCC#CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c1-2-3-4-13-10(15)7-5-8(11)14-9(12)6-7/h5-6H,4H2,1H3,(H,13,15)
InChIKeyKBZCANMMBGGYSD-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.14
Rot. Bonds2

About N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide

N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide (PubChem CID 115866916) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
PubChem CID115866916
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC NameN-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
SMILESCC#CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c1-2-3-4-13-10(15)7-5-8(11)14-9(12)6-7/h5-6H,4H2,1H3,(H,13,15)
InChIKeyKBZCANMMBGGYSD-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.14
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

N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide
CID 130665198
2-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
N-but-2-ynyl-4-fluorobenzamide
CID 115866848
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide?
The IUPAC name of N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide (CID 115866916) is N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide?
The canonical SMILES for N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide is CC#CCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide?
The InChIKey is KBZCANMMBGGYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-2-3-4-13-10(15)7-5-8(11)14-9(12)6-7/h5-6H,4H2,1H3,(H,13,15).
What are the key properties of N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide?
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide has a molecular weight of 243.09 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide is sourced from PubChem (CID 115866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).