3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide

C10H11ClN2O — CID 87138561

IUPAC3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN2O/c1-13(2)10(14)6-4-8-3-5-9(11)12-7-8/h3-7H,1-2H3
InChIKeyVTUISNFLWUVXTN-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.84
Rot. Bonds2

About 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide

3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide (PubChem CID 87138561) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
PubChem CID87138561
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Cl)nc1
InChIInChI=1S/C10H11ClN2O/c1-13(2)10(14)6-4-8-3-5-9(11)12-7-8/h3-7H,1-2H3
InChIKeyVTUISNFLWUVXTN-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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
tert-butyl 3-(6-chloro-3-pyridinyl)prop-2-enoate
CID 91411013
2-chloro-5-[(E)-prop-1-enyl]pyridine
CID 56977601
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
CID 10725825
(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide
CID 75362919
(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
CID 134111994
(E)-N,N-dimethyl-3-pyrimidin-2-ylprop-2-enamide
CID 166914330
(E)-3-[6-[(dimethylamino)methyl]-3-pyridinyl]prop-2-enoic acid
CID 18416271
5-(6-chloro-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopent-4-enenitrile
CID 71907469
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide (CID 87138561) is 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide?
The InChIKey is VTUISNFLWUVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13(2)10(14)6-4-8-3-5-9(11)12-7-8/h3-7H,1-2H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide?
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide has a molecular weight of 210.66 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 87138561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).