3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide

C15H22N4O — CID 107524045

IUPAC3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H22N4O/c1-12(8-11-19(2)3)18-15(20)14-13(6-4-9-16)7-5-10-17-14/h5,7,10,12H,8-9,11,16H2,1-3H3,(H,18,20)
InChIKeyLGMJWXXALQHKSR-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.46
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide (PubChem CID 107524045) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
PubChem CID107524045
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H22N4O/c1-12(8-11-19(2)3)18-15(20)14-13(6-4-9-16)7-5-10-17-14/h5,7,10,12H,8-9,11,16H2,1-3H3,(H,18,20)
InChIKeyLGMJWXXALQHKSR-UHFFFAOYSA-N
XLogP0.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1-ethylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 107524808
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 107524732
3-(3-aminoprop-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107524482
3-(3-aminoprop-1-ynyl)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 107524027
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide (CID 107524045) is 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide is CC(CCN(C)C)NC(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The InChIKey is LGMJWXXALQHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(8-11-19(2)3)18-15(20)14-13(6-4-9-16)7-5-10-17-14/h5,7,10,12H,8-9,11,16H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107524045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).