N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol

C13H19N3O5 — CID 143631497

IUPACN-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol
SMILESCC(=O)CNC(=O)C(CO)NC(=O)c1ccncc1.CO
InChIInChI=1S/C12H15N3O4.CH4O/c1-8(17)6-14-12(19)10(7-16)15-11(18)9-2-4-13-5-3-9;1-2/h2-5,10,16H,6-7H2,1H3,(H,14,19)(H,15,18);2H,1H3
InChIKeyAVCDIXGWMKHXIT-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.51
Rot. Bonds6

About N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol

N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol (PubChem CID 143631497) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol
PubChem CID143631497
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol
SMILESCC(=O)CNC(=O)C(CO)NC(=O)c1ccncc1.CO
InChIInChI=1S/C12H15N3O4.CH4O/c1-8(17)6-14-12(19)10(7-16)15-11(18)9-2-4-13-5-3-9;1-2/h2-5,10,16H,6-7H2,1H3,(H,14,19)(H,15,18);2H,1H3
InChIKeyAVCDIXGWMKHXIT-UHFFFAOYSA-N
XLogP-1.51
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 6723976
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 122212313
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-[(2S)-3-hydroxy-1-[4-[[(2S)-3-hydroxy-2-(pyridine-2-carbonylamino)propanoyl]amino]butylamino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 18666428
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol (CID 143631497) is N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol is CC(=O)CNC(=O)C(CO)NC(=O)c1ccncc1.CO.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol?
The InChIKey is AVCDIXGWMKHXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4.CH4O/c1-8(17)6-14-12(19)10(7-16)15-11(18)9-2-4-13-5-3-9;1-2/h2-5,10,16H,6-7H2,1H3,(H,14,19)(H,15,18);2H,1H3.
What are the key properties of N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol?
N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol has a molecular weight of 297.31 g/mol, XLogP of -1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol is sourced from PubChem (CID 143631497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).