N-but-2-ynyl-5-cyanopyridine-2-carboxamide

C11H9N3O — CID 115866853

IUPACN-but-2-ynyl-5-cyanopyridine-2-carboxamide
SMILESCC#CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H9N3O/c1-2-3-6-13-11(15)10-5-4-9(7-12)8-14-10/h4-5,8H,6H2,1H3,(H,13,15)
InChIKeyZWVNMPSQQXRHTE-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.71
Rot. Bonds2

About N-but-2-ynyl-5-cyanopyridine-2-carboxamide

N-but-2-ynyl-5-cyanopyridine-2-carboxamide (PubChem CID 115866853) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-but-2-ynyl-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-5-cyanopyridine-2-carboxamide
PubChem CID115866853
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-but-2-ynyl-5-cyanopyridine-2-carboxamide
SMILESCC#CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H9N3O/c1-2-3-6-13-11(15)10-5-4-9(7-12)8-14-10/h4-5,8H,6H2,1H3,(H,13,15)
InChIKeyZWVNMPSQQXRHTE-UHFFFAOYSA-N
XLogP0.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-but-2-ynyl-5-cyanopyridine-2-carboxamide (CID 115866853) is N-but-2-ynyl-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-but-2-ynyl-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-but-2-ynyl-5-cyanopyridine-2-carboxamide is CC#CCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-but-2-ynyl-5-cyanopyridine-2-carboxamide?
The InChIKey is ZWVNMPSQQXRHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-2-3-6-13-11(15)10-5-4-9(7-12)8-14-10/h4-5,8H,6H2,1H3,(H,13,15).
What are the key properties of N-but-2-ynyl-5-cyanopyridine-2-carboxamide?
N-but-2-ynyl-5-cyanopyridine-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 115866853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).