N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide

C12H16N4O — CID 79287454

IUPACN-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H16N4O/c1-4-6-13-9-12(17)15-10-8-14-7-5-11(10)16(2)3/h1,5,7-8,13H,6,9H2,2-3H3,(H,15,17)
InChIKeyMKUOYEITNAEDCD-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.31
Rot. Bonds5

About N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide

N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287454) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287454
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C12H16N4O/c1-4-6-13-9-12(17)15-10-8-14-7-5-11(10)16(2)3/h1,5,7-8,13H,6,9H2,2-3H3,(H,15,17)
InChIKeyMKUOYEITNAEDCD-UHFFFAOYSA-N
XLogP0.31
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[5-bromo-2-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286745
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbutanamide
CID 79797542
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
CID 63374978

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide (CID 79287454) is N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1cnccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is MKUOYEITNAEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-6-13-9-12(17)15-10-8-14-7-5-11(10)16(2)3/h1,5,7-8,13H,6,9H2,2-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide?
N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).