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

C9H10N2O — CID 43616345

IUPACN-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ncccc1C
InChIInChI=1S/C9H10N2O/c1-3-8(12)11-9-7(2)5-4-6-10-9/h3-6H,1H2,2H3,(H,10,11,12)
InChIKeyRJQXCHSXTKYLDJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.51
Rot. Bonds2

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

N-(3-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 43616345) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)prop-2-enamide
PubChem CID43616345
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-(3-methyl-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ncccc1C
InChIInChI=1S/C9H10N2O/c1-3-8(12)11-9-7(2)5-4-6-10-9/h3-6H,1H2,2H3,(H,10,11,12)
InChIKeyRJQXCHSXTKYLDJ-UHFFFAOYSA-N
XLogP1.51
TPSA41.99 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 ≤ 51.51
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

1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 3700792
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)urea
CID 108866068
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)prop-2-enamide (CID 43616345) is N-(3-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)prop-2-enamide is C=CC(=O)Nc1ncccc1C.
What is the InChIKey of N-(3-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is RJQXCHSXTKYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-8(12)11-9-7(2)5-4-6-10-9/h3-6H,1H2,2H3,(H,10,11,12).
What are the key properties of N-(3-methyl-2-pyridinyl)prop-2-enamide?
N-(3-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 162.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 43616345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).