5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide

C16H24N4O — CID 62953349

IUPAC5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H24N4O/c1-4-10-20(12-11-19(2)3)16(21)15-8-7-14(13-18-15)6-5-9-17/h7-8,13H,4,9-12,17H2,1-3H3
InChIKeyMRTDRAHJOJEDAZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.81
Rot. Bonds6

About 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide (PubChem CID 62953349) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
PubChem CID62953349
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H24N4O/c1-4-10-20(12-11-19(2)3)16(21)15-8-7-14(13-18-15)6-5-9-17/h7-8,13H,4,9-12,17H2,1-3H3
InChIKeyMRTDRAHJOJEDAZ-UHFFFAOYSA-N
XLogP0.81
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-ethylamino]acetate
CID 62954701
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62958692
5-(3-aminoprop-1-ynyl)-N-pentyl-N-propan-2-ylpyridine-2-carboxamide
CID 62954876
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63228590
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62960481
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide (CID 62953349) is 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide is CCCN(CCN(C)C)C(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The InChIKey is MRTDRAHJOJEDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-10-20(12-11-19(2)3)16(21)15-8-7-14(13-18-15)6-5-9-17/h7-8,13H,4,9-12,17H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 62953349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).