N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide

C9H12N4O3 — CID 81443627

IUPACN-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
SMILESN/C(CCNC(=O)c1ccncc1O)=N/O
InChIInChI=1S/C9H12N4O3/c10-8(13-16)2-4-12-9(15)6-1-3-11-5-7(6)14/h1,3,5,14,16H,2,4H2,(H2,10,13)(H,12,15)
InChIKeyUSJCIDRCAUGUKY-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.35
Rot. Bonds4

About N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide

N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 81443627) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
PubChem CID81443627
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
SMILESN/C(CCNC(=O)c1ccncc1O)=N/O
InChIInChI=1S/C9H12N4O3/c10-8(13-16)2-4-12-9(15)6-1-3-11-5-7(6)14/h1,3,5,14,16H,2,4H2,(H2,10,13)(H,12,15)
InChIKeyUSJCIDRCAUGUKY-UHFFFAOYSA-N
XLogP-0.35
TPSA120.83 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 ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide (CID 81443627) is N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide is N/C(CCNC(=O)c1ccncc1O)=N/O.
What is the InChIKey of N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is USJCIDRCAUGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-8(13-16)2-4-12-9(15)6-1-3-11-5-7(6)14/h1,3,5,14,16H,2,4H2,(H2,10,13)(H,12,15).
What are the key properties of N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide?
N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81443627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).