N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide

C11H15N3O — CID 79286305

IUPACN-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C11H15N3O/c1-3-6-12-8-11(15)14-10-5-4-9(2)7-13-10/h3-5,7,12H,1,6,8H2,2H3,(H,13,14,15)
InChIKeyZIQHRJBMBVNDQW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.10
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide

N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79286305) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
PubChem CID79286305
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C11H15N3O/c1-3-6-12-8-11(15)14-10-5-4-9(2)7-13-10/h3-5,7,12H,1,6,8H2,2H3,(H,13,14,15)
InChIKeyZIQHRJBMBVNDQW-UHFFFAOYSA-N
XLogP1.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
CID 144725404
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
N-(1-methylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79286309
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide (CID 79286305) is N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is ZIQHRJBMBVNDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-6-12-8-11(15)14-10-5-4-9(2)7-13-10/h3-5,7,12H,1,6,8H2,2H3,(H,13,14,15).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide?
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).