(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine

C20H21N3O — CID 164705272

IUPAC(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1cccc(CCCCNc2cccc3ccccc23)n1
InChIInChI=1S/C20H21N3O/c24-22-15-18-11-6-10-17(23-18)9-3-4-14-21-20-13-5-8-16-7-1-2-12-19(16)20/h1-2,5-8,10-13,15,21,24H,3-4,9,14H2/b22-15-
InChIKeyJHJXWNZNGZXINC-JCMHNJIXSA-N
MW319.41 g/mol
LogP4.48
Rot. Bonds7

About (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 164705272) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID164705272
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1cccc(CCCCNc2cccc3ccccc23)n1
InChIInChI=1S/C20H21N3O/c24-22-15-18-11-6-10-17(23-18)9-3-4-14-21-20-13-5-8-16-7-1-2-12-19(16)20/h1-2,5-8,10-13,15,21,24H,3-4,9,14H2/b22-15-
InChIKeyJHJXWNZNGZXINC-JCMHNJIXSA-N
XLogP4.48
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 138560123
(NE)-N-[[3-fluoro-6-[4-(quinolin-1-ium-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 142560329
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
CID 137270230
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
1-[2-(naphthalen-1-ylamino)ethyl]-3-pyridin-3-ylthiourea
CID 4829929

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine (CID 164705272) is (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is O/N=C\c1cccc(CCCCNc2cccc3ccccc23)n1.
What is the InChIKey of (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is JHJXWNZNGZXINC-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H21N3O/c24-22-15-18-11-6-10-17(23-18)9-3-4-14-21-20-13-5-8-16-7-1-2-12-19(16)20/h1-2,5-8,10-13,15,21,24H,3-4,9,14H2/b22-15-.
What are the key properties of (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 319.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-[4-(naphthalen-1-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 164705272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).