N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide

C13H19N3O2 — CID 130272140

IUPACN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCCNC(=O)C(NC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C13H19N3O2/c1-4-15-13(18)11(9(2)3)16-12(17)10-5-7-14-8-6-10/h5-9,11H,4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHVLNUVHHGRDYNZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide

N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide (PubChem CID 130272140) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
PubChem CID130272140
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCCNC(=O)C(NC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C13H19N3O2/c1-4-15-13(18)11(9(2)3)16-12(17)10-5-7-14-8-6-10/h5-9,11H,4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHVLNUVHHGRDYNZ-UHFFFAOYSA-N
XLogP0.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 143138436
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 70331067
N-[3-methyl-2-[12-[[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]amino]dodecylamino]butanoyl]pyridine-4-carboxamide
CID 123670207
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 47079681
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide (CID 130272140) is N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide is CCNC(=O)C(NC(=O)c1ccncc1)C(C)C.
What is the InChIKey of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The InChIKey is HVLNUVHHGRDYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-15-13(18)11(9(2)3)16-12(17)10-5-7-14-8-6-10/h5-9,11H,4H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 130272140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).