(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine

C18H18N6O — CID 145002618

IUPAC(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine
SMILES[H]/N=C/c1ccc(-c2cccc(/C(C)=N\O)n2)cc1Nc1ccn(C)n1
InChIInChI=1S/C18H18N6O/c1-12(23-25)15-4-3-5-16(20-15)13-6-7-14(11-19)17(10-13)21-18-8-9-24(2)22-18/h3-11,19,25H,1-2H3,(H,21,22)/b19-11+,23-12-
InChIKeyWQSMKQJZKCJPTB-WLADFUIMSA-N
MW334.38 g/mol
LogP3.42
Rot. Bonds5

About (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine

(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine (PubChem CID 145002618) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine
PubChem CID145002618
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine
SMILES[H]/N=C/c1ccc(-c2cccc(/C(C)=N\O)n2)cc1Nc1ccn(C)n1
InChIInChI=1S/C18H18N6O/c1-12(23-25)15-4-3-5-16(20-15)13-6-7-14(11-19)17(10-13)21-18-8-9-24(2)22-18/h3-11,19,25H,1-2H3,(H,21,22)/b19-11+,23-12-
InChIKeyWQSMKQJZKCJPTB-WLADFUIMSA-N
XLogP3.42
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine (CID 145002618) is (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine is [H]/N=C/c1ccc(-c2cccc(/C(C)=N\O)n2)cc1Nc1ccn(C)n1.
What is the InChIKey of (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is WQSMKQJZKCJPTB-WLADFUIMSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12(23-25)15-4-3-5-16(20-15)13-6-7-14(11-19)17(10-13)21-18-8-9-24(2)22-18/h3-11,19,25H,1-2H3,(H,21,22)/b19-11+,23-12-.
What are the key properties of (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 334.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[6-[4-methanimidoyl-3-[(1-methylpyrazol-3-yl)amino]phenyl]-2-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 145002618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).