(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine

C16H19N3O — CID 137283183

IUPAC(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine
SMILESCC(C)CC/C(=N\O)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H19N3O/c1-12(2)9-10-16(19-20)15-8-5-7-14(18-15)13-6-3-4-11-17-13/h3-8,11-12,20H,9-10H2,1-2H3/b19-16+
InChIKeyYFSPUGJWSWDYJO-KNTRCKAVSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds5

About (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine

(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine (PubChem CID 137283183) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine
PubChem CID137283183
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine
SMILESCC(C)CC/C(=N\O)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C16H19N3O/c1-12(2)9-10-16(19-20)15-8-5-7-14(18-15)13-6-3-4-11-17-13/h3-8,11-12,20H,9-10H2,1-2H3/b19-16+
InChIKeyYFSPUGJWSWDYJO-KNTRCKAVSA-N
XLogP3.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
N-[phenanthren-9-yl-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403339
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
(NZ)-N-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
N-(1-pyridin-2-ylheptylidene)hydroxylamine
CID 658439
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
1-(6-pyridin-2-yl-2-pyridinyl)but-2-yn-1-one
CID 135252428
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine (CID 137283183) is (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine is CC(C)CC/C(=N\O)c1cccc(-c2ccccn2)n1.
What is the InChIKey of (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine?
The InChIKey is YFSPUGJWSWDYJO-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)9-10-16(19-20)15-8-5-7-14(18-15)13-6-3-4-11-17-13/h3-8,11-12,20H,9-10H2,1-2H3/b19-16+.
What are the key properties of (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine?
(NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-methyl-1-(6-pyridin-2-yl-2-pyridinyl)pentylidene]hydroxylamine is sourced from PubChem (CID 137283183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).