5-cyano-N-prop-2-ynylpyridine-2-carboxamide

C10H7N3O — CID 63717306

IUPAC5-cyano-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C10H7N3O/c1-2-5-12-10(14)9-4-3-8(6-11)7-13-9/h1,3-4,7H,5H2,(H,12,14)
InChIKeyDWIODUTYXVGTDD-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.32
Rot. Bonds2

About 5-cyano-N-prop-2-ynylpyridine-2-carboxamide

5-cyano-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 63717306) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-cyano-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID63717306
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5-cyano-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C10H7N3O/c1-2-5-12-10(14)9-4-3-8(6-11)7-13-9/h1,3-4,7H,5H2,(H,12,14)
InChIKeyDWIODUTYXVGTDD-UHFFFAOYSA-N
XLogP0.32
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.32
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

N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
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-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-prop-2-ynylpyridine-2-carboxamide (CID 63717306) is 5-cyano-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-prop-2-ynylpyridine-2-carboxamide is C#CCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is DWIODUTYXVGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-5-12-10(14)9-4-3-8(6-11)7-13-9/h1,3-4,7H,5H2,(H,12,14).
What are the key properties of 5-cyano-N-prop-2-ynylpyridine-2-carboxamide?
5-cyano-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 185.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 63717306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).