5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride

C17H24Cl2N4O — CID 120641638

IUPAC5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)c2cc(N)ccc2C)cn1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-4-21(5-2)16-9-8-14(11-19-16)20-17(22)15-10-13(18)7-6-12(15)3;;/h6-11H,4-5,18H2,1-3H3,(H,20,22);2*1H
InChIKeyMSPRFMKIPNXKFF-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.91
Rot. Bonds5

About 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120641638) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
PubChem CID120641638
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Name5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)c2cc(N)ccc2C)cn1.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-4-21(5-2)16-9-8-14(11-19-16)20-17(22)15-10-13(18)7-6-12(15)3;;/h6-11H,4-5,18H2,1-3H3,(H,20,22);2*1H
InChIKeyMSPRFMKIPNXKFF-UHFFFAOYSA-N
XLogP3.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 126775891
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
CID 120625137
N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55784472

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride (CID 120641638) is 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride is CCN(CC)c1ccc(NC(=O)c2cc(N)ccc2C)cn1.Cl.Cl.
What is the InChIKey of 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is MSPRFMKIPNXKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c1-4-21(5-2)16-9-8-14(11-19-16)20-17(22)15-10-13(18)7-6-12(15)3;;/h6-11H,4-5,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120641638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).