N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide

C14H18N4O2 — CID 106346966

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1C#CCN)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-9(2)12(13(16)19)18-14(20)11-5-7-17-8-10(11)4-3-6-15/h5,7-9,12H,6,15H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyQZSQCWRNACGDRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.37
Rot. Bonds4

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 106346966) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
PubChem CID106346966
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1C#CCN)C(N)=O
InChIInChI=1S/C14H18N4O2/c1-9(2)12(13(16)19)18-14(20)11-5-7-17-8-10(11)4-3-6-15/h5,7-9,12H,6,15H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyQZSQCWRNACGDRI-UHFFFAOYSA-N
XLogP-0.37
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.37
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

3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)-2-methylbenzamide
CID 106346976
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66484078
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide (CID 106346966) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide is CC(C)C(NC(=O)c1ccncc1C#CCN)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is QZSQCWRNACGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)12(13(16)19)18-14(20)11-5-7-17-8-10(11)4-3-6-15/h5,7-9,12H,6,15H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 106346966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).