N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine

C21H28ClN3O — CID 110505596

IUPACN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCCCCCCCOc1ccc(/C=N/Nc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H28ClN3O/c1-2-3-4-5-6-7-10-15-26-19-13-12-18(20(22)16-19)17-24-25-21-11-8-9-14-23-21/h8-9,11-14,16-17H,2-7,10,15H2,1H3,(H,23,25)/b24-17+
InChIKeyFPQZTOWPTMPYEY-JJIBRWJFSA-N
MW373.93 g/mol
LogP6.31
Rot. Bonds12

About N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine

N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 110505596) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID110505596
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC NameN-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCCCCCCCOc1ccc(/C=N/Nc2ccccn2)c(Cl)c1
InChIInChI=1S/C21H28ClN3O/c1-2-3-4-5-6-7-10-15-26-19-13-12-18(20(22)16-19)17-24-25-21-11-8-9-14-23-21/h8-9,11-14,16-17H,2-7,10,15H2,1H3,(H,23,25)/b24-17+
InChIKeyFPQZTOWPTMPYEY-JJIBRWJFSA-N
XLogP6.31
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.93
LogP ≤ 56.31
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507382
1-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-3-ethylthiourea
CID 110508682
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506613
(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
CID 110505608
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
CID 110505616
6-tridecoxyquinoline
CID 174908858
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
CID 110842592
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
N-[4-(3-tributylstannylphenoxy)butyl]pyridin-2-amine
CID 22602741

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine (CID 110505596) is N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine is CCCCCCCCCOc1ccc(/C=N/Nc2ccccn2)c(Cl)c1.
What is the InChIKey of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is FPQZTOWPTMPYEY-JJIBRWJFSA-N. The full InChI is InChI=1S/C21H28ClN3O/c1-2-3-4-5-6-7-10-15-26-19-13-12-18(20(22)16-19)17-24-25-21-11-8-9-14-23-21/h8-9,11-14,16-17H,2-7,10,15H2,1H3,(H,23,25)/b24-17+.
What are the key properties of N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 373.93 g/mol, XLogP of 6.31, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110505596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).