3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

C14H20N4O — CID 107524221

IUPAC3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ncccc1C#CCN)N(C)C
InChIInChI=1S/C14H20N4O/c1-11(18(2)3)10-17-14(19)13-12(6-4-8-15)7-5-9-16-13/h5,7,9,11H,8,10,15H2,1-3H3,(H,17,19)
InChIKeyCMUNEAKIMMVFMJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.07
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 107524221) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID107524221
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ncccc1C#CCN)N(C)C
InChIInChI=1S/C14H20N4O/c1-11(18(2)3)10-17-14(19)13-12(6-4-8-15)7-5-9-16-13/h5,7,9,11H,8,10,15H2,1-3H3,(H,17,19)
InChIKeyCMUNEAKIMMVFMJ-UHFFFAOYSA-N
XLogP0.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.07
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-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
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-ethylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 107524808
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107524444
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide (CID 107524221) is 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide is CC(CNC(=O)c1ncccc1C#CCN)N(C)C.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is CMUNEAKIMMVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(18(2)3)10-17-14(19)13-12(6-4-8-15)7-5-9-16-13/h5,7,9,11H,8,10,15H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.07, 4 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-[2-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 107524221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).