4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide

C11H17N5O2 — CID 54992228

IUPAC4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
SMILESCC(CN(C)c1ccnc(C(N)=O)c1)/C(N)=N/O
InChIInChI=1S/C11H17N5O2/c1-7(10(12)15-18)6-16(2)8-3-4-14-9(5-8)11(13)17/h3-5,7,18H,6H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXTLVDCPWSBICKP-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.00
Rot. Bonds5

About 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide

4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide (PubChem CID 54992228) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
PubChem CID54992228
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
SMILESCC(CN(C)c1ccnc(C(N)=O)c1)/C(N)=N/O
InChIInChI=1S/C11H17N5O2/c1-7(10(12)15-18)6-16(2)8-3-4-14-9(5-8)11(13)17/h3-5,7,18H,6H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXTLVDCPWSBICKP-UHFFFAOYSA-N
XLogP-0.00
TPSA117.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide (CID 54992228) is 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide is CC(CN(C)c1ccnc(C(N)=O)c1)/C(N)=N/O.
What is the InChIKey of 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide?
The InChIKey is XTLVDCPWSBICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(10(12)15-18)6-16(2)8-3-4-14-9(5-8)11(13)17/h3-5,7,18H,6H2,1-2H3,(H2,12,15)(H2,13,17).
What are the key properties of 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide?
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 54992228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).