2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide

C12H17N3O — CID 113009307

IUPAC2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
SMILESC=CCNc1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C12H17N3O/c1-4-7-13-11-6-5-10(8-14-11)15-12(16)9(2)3/h4-6,8-9H,1,7H2,2-3H3,(H,13,14)(H,15,16)
InChIKeyVPBUMHLVAGSLEZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.27
Rot. Bonds5

About 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide

2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide (PubChem CID 113009307) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
PubChem CID113009307
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
SMILESC=CCNc1ccc(NC(=O)C(C)C)cn1
InChIInChI=1S/C12H17N3O/c1-4-7-13-11-6-5-10(8-14-11)15-12(16)9(2)3/h4-6,8-9H,1,7H2,2-3H3,(H,13,14)(H,15,16)
InChIKeyVPBUMHLVAGSLEZ-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
5-N-ethyl-2-N-prop-2-enylpyridine-2,5-diamine
CID 82104360
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009326
3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009330
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
CID 115268625
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023878
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009348
4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide (CID 113009307) is 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide is C=CCNc1ccc(NC(=O)C(C)C)cn1.
What is the InChIKey of 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide?
The InChIKey is VPBUMHLVAGSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-7-13-11-6-5-10(8-14-11)15-12(16)9(2)3/h4-6,8-9H,1,7H2,2-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide?
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide has a molecular weight of 219.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113009307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).