N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide

C17H20N4O2 — CID 135873461

IUPACN-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(/C=N\O)nc1)Cc1ccccc1
InChIInChI=1S/C17H20N4O2/c1-21(13-14-5-3-2-4-6-14)10-9-18-17(22)15-7-8-16(12-20-23)19-11-15/h2-8,11-12,23H,9-10,13H2,1H3,(H,18,22)/b20-12-
InChIKeyQUSCROKAHJQYJC-NDENLUEZSA-N
MW312.37 g/mol
LogP1.75
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide (PubChem CID 135873461) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
PubChem CID135873461
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
SMILESCN(CCNC(=O)c1ccc(/C=N\O)nc1)Cc1ccccc1
InChIInChI=1S/C17H20N4O2/c1-21(13-14-5-3-2-4-6-14)10-9-18-17(22)15-7-8-16(12-20-23)19-11-15/h2-8,11-12,23H,9-10,13H2,1H3,(H,18,22)/b20-12-
InChIKeyQUSCROKAHJQYJC-NDENLUEZSA-N
XLogP1.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135513618
N-(2-aminoethyl)-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 135495466
6-(hydroxyiminomethyl)-N-propylpyridine-3-carboxamide
CID 135500225
6-[(E)-hydroxyiminomethyl]-N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-3-carboxamide
CID 135644447
N-(4-aminobutyl)-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135503305
N-[2-(2-hydroxyethylamino)ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide
CID 136801858
benzyl-dimethyl-[2-[[6-[(E)-oxidoiminomethyl]pyridine-3-carbonyl]amino]ethyl]azanium
CID 131666000
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide (CID 135873461) is N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide is CN(CCNC(=O)c1ccc(/C=N\O)nc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
The InChIKey is QUSCROKAHJQYJC-NDENLUEZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(13-14-5-3-2-4-6-14)10-9-18-17(22)15-7-8-16(12-20-23)19-11-15/h2-8,11-12,23H,9-10,13H2,1H3,(H,18,22)/b20-12-.
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-6-[(Z)-hydroxyiminomethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135873461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).