1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

C19H24Cl2N4O2 — CID 119946668

IUPAC1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3N)CC2)nc1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-13-6-7-17(21-12-13)22-18(24)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20;;/h2-7,12,14H,8-11,20H2,1H3,(H,21,22,24);2*1H
InChIKeyVCXOCIUOGPWAIV-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.31
Rot. Bonds3

About 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride

1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119946668) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119946668
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC Name1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3N)CC2)nc1.Cl.Cl
InChIInChI=1S/C19H22N4O2.2ClH/c1-13-6-7-17(21-12-13)22-18(24)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20;;/h2-7,12,14H,8-11,20H2,1H3,(H,21,22,24);2*1H
InChIKeyVCXOCIUOGPWAIV-UHFFFAOYSA-N
XLogP3.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.31
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

1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87007164

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 119946668) is 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3N)CC2)nc1.Cl.Cl.
What is the InChIKey of 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is VCXOCIUOGPWAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c1-13-6-7-17(21-12-13)22-18(24)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20;;/h2-7,12,14H,8-11,20H2,1H3,(H,21,22,24);2*1H.
What are the key properties of 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119946668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).