3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide

C15H20N4O2 — CID 107524732

IUPAC3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H20N4O2/c1-11(2)19-13(20)7-10-18-15(21)14-12(5-3-8-16)6-4-9-17-14/h4,6,9,11H,7-8,10,16H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJUFYWCHQBYJAKW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.04
Rot. Bonds5

About 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide (PubChem CID 107524732) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
PubChem CID107524732
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C15H20N4O2/c1-11(2)19-13(20)7-10-18-15(21)14-12(5-3-8-16)6-4-9-17-14/h4,6,9,11H,7-8,10,16H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJUFYWCHQBYJAKW-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
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-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
3-(3-aminoprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342128
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
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
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide (CID 107524732) is 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide is CC(C)NC(=O)CCNC(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
The InChIKey is JUFYWCHQBYJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)19-13(20)7-10-18-15(21)14-12(5-3-8-16)6-4-9-17-14/h4,6,9,11H,7-8,10,16H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 107524732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).