(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide

C9H10N2O — CID 55267603

IUPAC(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1/C=C/C(N)=O
InChIInChI=1S/C9H10N2O/c1-7-3-2-6-11-8(7)4-5-9(10)12/h2-6H,1H3,(H2,10,12)/b5-4+
InChIKeyQLCGHDIPFXHTGJ-SNAWJCMRSA-N
MW162.19 g/mol
LogP0.89
Rot. Bonds2

About (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 55267603) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide
PubChem CID55267603
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccnc1/C=C/C(N)=O
InChIInChI=1S/C9H10N2O/c1-7-3-2-6-11-8(7)4-5-9(10)12/h2-6H,1H3,(H2,10,12)/b5-4+
InChIKeyQLCGHDIPFXHTGJ-SNAWJCMRSA-N
XLogP0.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine
CID 54468117
3-(3-methyl-2-pyridinyl)prop-2-en-1-amine
CID 169463131
3-(2-bromo-3-pyridinyl)prop-2-enamide
CID 169482701
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170619156
3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine
CID 170285404
4-(3-hydroxy-2-pyridinyl)but-3-en-2-one
CID 69105394
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
N-[(3-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 137218431
3-(2-methylphenyl)pyridine-2-carboxamide
CID 174495640
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide (CID 55267603) is (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide is Cc1cccnc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is QLCGHDIPFXHTGJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-3-2-6-11-8(7)4-5-9(10)12/h2-6H,1H3,(H2,10,12)/b5-4+.
What are the key properties of (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 162.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 55267603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).