2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide

C9H12N4O3 — CID 170329040

IUPAC2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide
SMILESNC(CO)C(=O)NN=Cc1c[nH]ccc1=O
InChIInChI=1S/C9H12N4O3/c10-7(5-14)9(16)13-12-4-6-3-11-2-1-8(6)15/h1-4,7,14H,5,10H2,(H,11,15)(H,13,16)
InChIKeyQMAOJNSCNBZUGH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.86
Rot. Bonds4

About 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide

2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide (PubChem CID 170329040) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide
PubChem CID170329040
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide
SMILESNC(CO)C(=O)NN=Cc1c[nH]ccc1=O
InChIInChI=1S/C9H12N4O3/c10-7(5-14)9(16)13-12-4-6-3-11-2-1-8(6)15/h1-4,7,14H,5,10H2,(H,11,15)(H,13,16)
InChIKeyQMAOJNSCNBZUGH-UHFFFAOYSA-N
XLogP-1.86
TPSA120.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
CID 137255353
(2S)-2-amino-3-hydroxy-N-[(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 870531
2-amino-3-hydroxy-N-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 136987961
(2S)-2-amino-3-hydroxy-N-[(E)-(3-hydroxy-2,4-dimethoxyphenyl)methylideneamino]propanamide
CID 166986656
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
CID 172842868
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
[[(2S)-2-amino-3-hydroxypropanoyl]amino] benzoate
CID 86740598
2-amino-N-(4-formylphenyl)-3-hydroxypropanamide
CID 143188346
2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 135493662
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexanamide
CID 136810471
(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 5046667

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide (CID 170329040) is 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide is NC(CO)C(=O)NN=Cc1c[nH]ccc1=O.
What is the InChIKey of 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide?
The InChIKey is QMAOJNSCNBZUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-7(5-14)9(16)13-12-4-6-3-11-2-1-8(6)15/h1-4,7,14H,5,10H2,(H,11,15)(H,13,16).
What are the key properties of 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide?
2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide has a molecular weight of 224.22 g/mol, XLogP of -1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[(4-oxo-1H-pyridin-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 170329040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).