N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

C12H18N4O2 — CID 135455076

IUPACN-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C12H18N4O2/c1-16(2)7-3-6-13-12(17)10-4-5-11(9-15-18)14-8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,13,17)/b15-9+
InChIKeyOKVPUPXLGMFODQ-OQLLNIDSSA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (PubChem CID 135455076) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
PubChem CID135455076
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C12H18N4O2/c1-16(2)7-3-6-13-12(17)10-4-5-11(9-15-18)14-8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,13,17)/b15-9+
InChIKeyOKVPUPXLGMFODQ-OQLLNIDSSA-N
XLogP0.57
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
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': '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 N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide (CID 135455076) is N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(/C=N/O)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is OKVPUPXLGMFODQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(2)7-3-6-13-12(17)10-4-5-11(9-15-18)14-8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,13,17)/b15-9+.
What are the key properties of N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135455076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).