3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride

C18H17Cl2N3O — CID 91645125

IUPAC3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Nc1cc2ccccc2cc1C(=O)NCCc1ccc(Cl)nc1
InChIInChI=1S/C18H16ClN3O.ClH/c19-17-6-5-12(11-22-17)7-8-21-18(23)15-9-13-3-1-2-4-14(13)10-16(15)20;/h1-6,9-11H,7-8,20H2,(H,21,23);1H
InChIKeyPCFZXUPYMNHGDB-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.86
Rot. Bonds4

About 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride

3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 91645125) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID91645125
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Nc1cc2ccccc2cc1C(=O)NCCc1ccc(Cl)nc1
InChIInChI=1S/C18H16ClN3O.ClH/c19-17-6-5-12(11-22-17)7-8-21-18(23)15-9-13-3-1-2-4-14(13)10-16(15)20;/h1-6,9-11H,7-8,20H2,(H,21,23);1H
InChIKeyPCFZXUPYMNHGDB-UHFFFAOYSA-N
XLogP3.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
2-N-[2-(6-chloro-3-pyridinyl)ethyl]-1-nitroprop-1-ene-1,2-diamine
CID 173269844
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 118498869
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
6-chloro-N-[2-(3,4-dihydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 78800618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride (CID 91645125) is 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride is Cl.Nc1cc2ccccc2cc1C(=O)NCCc1ccc(Cl)nc1.
What is the InChIKey of 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is PCFZXUPYMNHGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O.ClH/c19-17-6-5-12(11-22-17)7-8-21-18(23)15-9-13-3-1-2-4-14(13)10-16(15)20;/h1-6,9-11H,7-8,20H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride?
3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 362.26 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(6-chloro-3-pyridinyl)ethyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 91645125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).