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

C10H14N4O3 — CID 81443542

IUPACN-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
SMILESN/C(CCCNC(=O)c1ccncc1O)=N/O
InChIInChI=1S/C10H14N4O3/c11-9(14-17)2-1-4-13-10(16)7-3-5-12-6-8(7)15/h3,5-6,15,17H,1-2,4H2,(H2,11,14)(H,13,16)
InChIKeyCRCVSCNSFWRFQJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.04
Rot. Bonds5

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

N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 81443542) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
PubChem CID81443542
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
SMILESN/C(CCCNC(=O)c1ccncc1O)=N/O
InChIInChI=1S/C10H14N4O3/c11-9(14-17)2-1-4-13-10(16)7-3-5-12-6-8(7)15/h3,5-6,15,17H,1-2,4H2,(H2,11,14)(H,13,16)
InChIKeyCRCVSCNSFWRFQJ-UHFFFAOYSA-N
XLogP0.04
TPSA120.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
CID 81443627
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide (CID 81443542) is N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide is N/C(CCCNC(=O)c1ccncc1O)=N/O.
What is the InChIKey of N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is CRCVSCNSFWRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-9(14-17)2-1-4-13-10(16)7-3-5-12-6-8(7)15/h3,5-6,15,17H,1-2,4H2,(H2,11,14)(H,13,16).
What are the key properties of N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide?
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).