3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C14H18N4O2 — CID 66484447

IUPAC3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccncc1C#CCN
InChIInChI=1S/C14H18N4O2/c1-17(2)13(19)10-18(3)14(20)12-6-8-16-9-11(12)5-4-7-15/h6,8-9H,7,10,15H2,1-3H3
InChIKeyVATIWIXGHHMOTD-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.45
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 66484447) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID66484447
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccncc1C#CCN
InChIInChI=1S/C14H18N4O2/c1-17(2)13(19)10-18(3)14(20)12-6-8-16-9-11(12)5-4-7-15/h6,8-9H,7,10,15H2,1-3H3
InChIKeyVATIWIXGHHMOTD-UHFFFAOYSA-N
XLogP-0.45
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide with MolForge

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 66483088
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66482327
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 66482126
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 66482509
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 66483865
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 66484447) is 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CN(C)C(=O)CN(C)C(=O)c1ccncc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is VATIWIXGHHMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)13(19)10-18(3)14(20)12-6-8-16-9-11(12)5-4-7-15/h6,8-9H,7,10,15H2,1-3H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66484447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).