N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide

C11H13N3O — CID 106935064

IUPACN-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
SMILESC#CCNCC(=O)N(C)c1ccncc1
InChIInChI=1S/C11H13N3O/c1-3-6-13-9-11(15)14(2)10-4-7-12-8-5-10/h1,4-5,7-8,13H,6,9H2,2H3
InChIKeyMCRUABAVJXHMNI-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.27
Rot. Bonds4

About N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide

N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide (PubChem CID 106935064) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
PubChem CID106935064
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide
SMILESC#CCNCC(=O)N(C)c1ccncc1
InChIInChI=1S/C11H13N3O/c1-3-6-13-9-11(15)14(2)10-4-7-12-8-5-10/h1,4-5,7-8,13H,6,9H2,2H3
InChIKeyMCRUABAVJXHMNI-UHFFFAOYSA-N
XLogP0.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
N-methyl-2-(prop-2-enylamino)-N-pyridin-4-ylacetamide
CID 106934945
N-methyl-N-(3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79272166
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide
CID 79287454
methyl(pyridin-4-yl)carbamic acid
CID 54205463
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
CID 106936673

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide?
The IUPAC name of N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide (CID 106935064) is N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide.
What is the SMILES notation for N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide?
The canonical SMILES for N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide is C#CCNCC(=O)N(C)c1ccncc1.
What is the InChIKey of N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide?
The InChIKey is MCRUABAVJXHMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-6-13-9-11(15)14(2)10-4-7-12-8-5-10/h1,4-5,7-8,13H,6,9H2,2H3.
What are the key properties of N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide?
N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide has a molecular weight of 203.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(prop-2-ynylamino)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 106935064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).