(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide

C10H9N3O — CID 19183466

IUPAC(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C10H9N3O/c1-12-10(14)9(6-11)5-8-3-2-4-13-7-8/h2-5,7H,1H3,(H,12,14)/b9-5-
InChIKeyDQUFHCYHHQQENS-UITAMQMPSA-N
MW187.20 g/mol
LogP0.73
Rot. Bonds2

About (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide

(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 19183466) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
PubChem CID19183466
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1cccnc1
InChIInChI=1S/C10H9N3O/c1-12-10(14)9(6-11)5-8-3-2-4-13-7-8/h2-5,7H,1H3,(H,12,14)/b9-5-
InChIKeyDQUFHCYHHQQENS-UITAMQMPSA-N
XLogP0.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
N-butyl-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 5020774
4,4-dimethyl-3-oxo-2-(pyridin-3-ylmethylidene)pentanenitrile
CID 4987027
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
2-cyano-N-(2-methyl-5-nitrophenyl)-3-pyridin-3-ylprop-2-enamide
CID 3424018
2-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-ylprop-2-enenitrile
CID 53396546
2-cyano-N-methyl-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]prop-2-enamide
CID 67207648
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 903040

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide (CID 19183466) is (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide is CNC(=O)/C(C#N)=C\c1cccnc1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is DQUFHCYHHQQENS-UITAMQMPSA-N. The full InChI is InChI=1S/C10H9N3O/c1-12-10(14)9(6-11)5-8-3-2-4-13-7-8/h2-5,7H,1H3,(H,12,14)/b9-5-.
What are the key properties of (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide?
(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 187.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 19183466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).