3-(6-cyano-3-pyridinyl)prop-2-enamide

C9H7N3O — CID 169481486

IUPAC3-(6-cyano-3-pyridinyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(N)=O)cn1
InChIInChI=1S/C9H7N3O/c10-5-8-3-1-7(6-12-8)2-4-9(11)13/h1-4,6H,(H2,11,13)
InChIKeyTWDVSZVXIZVQNN-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.45
Rot. Bonds2

About 3-(6-cyano-3-pyridinyl)prop-2-enamide

3-(6-cyano-3-pyridinyl)prop-2-enamide (PubChem CID 169481486) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(6-cyano-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-cyano-3-pyridinyl)prop-2-enamide
PubChem CID169481486
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-(6-cyano-3-pyridinyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(N)=O)cn1
InChIInChI=1S/C9H7N3O/c10-5-8-3-1-7(6-12-8)2-4-9(11)13/h1-4,6H,(H2,11,13)
InChIKeyTWDVSZVXIZVQNN-UHFFFAOYSA-N
XLogP0.45
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
5-formylpyridine-2-carbonitrile
CID 10986263
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
3-(6-cyano-2-pyridinyl)prop-2-enamide
CID 169481499
(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
CID 170876950
5-[(Z)-2-cyclohexylethenyl]pyridine-2-carbonitrile
CID 58495654
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(E)-3-(6-carbamoyl-3-pyridinyl)prop-2-enoic acid
CID 62958855
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
CID 88913216
CID 88913216

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyano-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(6-cyano-3-pyridinyl)prop-2-enamide (CID 169481486) is 3-(6-cyano-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(6-cyano-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(6-cyano-3-pyridinyl)prop-2-enamide is N#Cc1ccc(C=CC(N)=O)cn1.
What is the InChIKey of 3-(6-cyano-3-pyridinyl)prop-2-enamide?
The InChIKey is TWDVSZVXIZVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-5-8-3-1-7(6-12-8)2-4-9(11)13/h1-4,6H,(H2,11,13).
What are the key properties of 3-(6-cyano-3-pyridinyl)prop-2-enamide?
3-(6-cyano-3-pyridinyl)prop-2-enamide has a molecular weight of 173.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyano-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169481486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).