N-cyano-5-ethylpyridine-3-carboxamide

C9H9N3O — CID 167157343

IUPACN-cyano-5-ethylpyridine-3-carboxamide
SMILESCCc1cncc(C(=O)NC#N)c1
InChIInChI=1S/C9H9N3O/c1-2-7-3-8(5-11-4-7)9(13)12-6-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyRLBXZBMSKLZMQW-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.85
Rot. Bonds2

About N-cyano-5-ethylpyridine-3-carboxamide

N-cyano-5-ethylpyridine-3-carboxamide (PubChem CID 167157343) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-cyano-5-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyano-5-ethylpyridine-3-carboxamide
PubChem CID167157343
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-cyano-5-ethylpyridine-3-carboxamide
SMILESCCc1cncc(C(=O)NC#N)c1
InChIInChI=1S/C9H9N3O/c1-2-7-3-8(5-11-4-7)9(13)12-6-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyRLBXZBMSKLZMQW-UHFFFAOYSA-N
XLogP0.85
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-ethylpyridine-3-carboxylate
CID 5323747
2-amino-1-(5-ethyl-3-pyridinyl)ethanone
CID 84651885
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
propyl N-cyano-5-ethylpyridine-3-carboximidate
CID 22416544
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
5-(cyanomethyl)pyridine-3-carboxamide
CID 90699791
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485

Frequently Asked Questions

What is the IUPAC name of N-cyano-5-ethylpyridine-3-carboxamide?
The IUPAC name of N-cyano-5-ethylpyridine-3-carboxamide (CID 167157343) is N-cyano-5-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-cyano-5-ethylpyridine-3-carboxamide?
The canonical SMILES for N-cyano-5-ethylpyridine-3-carboxamide is CCc1cncc(C(=O)NC#N)c1.
What is the InChIKey of N-cyano-5-ethylpyridine-3-carboxamide?
The InChIKey is RLBXZBMSKLZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7-3-8(5-11-4-7)9(13)12-6-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-cyano-5-ethylpyridine-3-carboxamide?
N-cyano-5-ethylpyridine-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-ethylpyridine-3-carboxamide is sourced from PubChem (CID 167157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).