(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one

C10H13N3O — CID 70332424

IUPAC(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
SMILESCN(C)/C=C(\N)C(=O)c1ccccn1
InChIInChI=1S/C10H13N3O/c1-13(2)7-8(11)10(14)9-5-3-4-6-12-9/h3-7H,11H2,1-2H3/b8-7-
InChIKeyKBTYCRIYAZHKSM-FPLPWBNLSA-N
MW191.23 g/mol
LogP0.63
Rot. Bonds3

About (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one

(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 70332424) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
PubChem CID70332424
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
SMILESCN(C)/C=C(\N)C(=O)c1ccccn1
InChIInChI=1S/C10H13N3O/c1-13(2)7-8(11)10(14)9-5-3-4-6-12-9/h3-7H,11H2,1-2H3/b8-7-
InChIKeyKBTYCRIYAZHKSM-FPLPWBNLSA-N
XLogP0.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(dimethylamino)-2-(pyridine-2-carbonyl)prop-2-enenitrile
CID 14673980
N-methylpyridine-2-carbohydrazide
CID 45084309
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
acetyl bromide;pyridine-2-carboxamide
CID 175817538
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
2-methyl-3-pyridin-2-ylprop-1-ene-1,3-dione
CID 102370650
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
zinc bis(pyridine-2-carbothioate)
CID 118879777
ethane;pyridine-2-carbonyl chloride
CID 158598971
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one (CID 70332424) is (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one is CN(C)/C=C(\N)C(=O)c1ccccn1.
What is the InChIKey of (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is KBTYCRIYAZHKSM-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)7-8(11)10(14)9-5-3-4-6-12-9/h3-7H,11H2,1-2H3/b8-7-.
What are the key properties of (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one?
(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 70332424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).