N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride

C19H16ClN3 — CID 18558676

IUPACN-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
SMILESCl.c1cncc(CNc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H15N3.ClH/c1-3-9-17-15(7-1)19(16-8-2-4-10-18(16)22-17)21-13-14-6-5-11-20-12-14;/h1-12H,13H2,(H,21,22);1H
InChIKeyMERLEEFVKJOARX-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.82
Rot. Bonds3

About N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride

N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride (PubChem CID 18558676) has the molecular formula C19H16ClN3 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
PubChem CID18558676
Molecular FormulaC19H16ClN3
Molecular Weight321.81 g/mol
Exact Mass321.10
IUPAC NameN-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
SMILESCl.c1cncc(CNc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H15N3.ClH/c1-3-9-17-15(7-1)19(16-8-2-4-10-18(16)22-17)21-13-14-6-5-11-20-12-14;/h1-12H,13H2,(H,21,22);1H
InChIKeyMERLEEFVKJOARX-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 80773541
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N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
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2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
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CID 117090770
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
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2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 70660144
3-(furan-2-ylmethylamino)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
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4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride?
The IUPAC name of N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride (CID 18558676) is N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride.
What is the SMILES notation for N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride?
The canonical SMILES for N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride is Cl.c1cncc(CNc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride?
The InChIKey is MERLEEFVKJOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.ClH/c1-3-9-17-15(7-1)19(16-8-2-4-10-18(16)22-17)21-13-14-6-5-11-20-12-14;/h1-12H,13H2,(H,21,22);1H.
What are the key properties of N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride?
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride is sourced from PubChem (CID 18558676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).