3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride

C13H20ClN3O4 — CID 54737930

IUPAC3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-7(2)6-15-12(19)8(3)16-13(20)10-11(18)9(17)4-5-14-10;/h4-5,7-8,18H,6H2,1-3H3,(H,14,17)(H,15,19)(H,16,20);1H/t8-;/m0./s1
InChIKeyFEMONEPBFDERLE-QRPNPIFTSA-N
MW317.77 g/mol
LogP0.39
Rot. Bonds5

About 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride

3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (PubChem CID 54737930) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
PubChem CID54737930
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC Name3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-7(2)6-15-12(19)8(3)16-13(20)10-11(18)9(17)4-5-14-10;/h4-5,7-8,18H,6H2,1-3H3,(H,14,17)(H,15,19)(H,16,20);1H/t8-;/m0./s1
InChIKeyFEMONEPBFDERLE-QRPNPIFTSA-N
XLogP0.39
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (CID 54737930) is 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is CC(C)CNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl.
What is the InChIKey of 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The InChIKey is FEMONEPBFDERLE-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-7(2)6-15-12(19)8(3)16-13(20)10-11(18)9(17)4-5-14-10;/h4-5,7-8,18H,6H2,1-3H3,(H,14,17)(H,15,19)(H,16,20);1H/t8-;/m0./s1.
What are the key properties of 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 54737930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).