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

C20H26Cl2N4O2 — CID 120643636

IUPAC1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(N)ccc3C)CC2)nc1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-13-3-6-18(22-12-13)23-19(25)15-7-9-24(10-8-15)20(26)17-11-16(21)5-4-14(17)2;;/h3-6,11-12,15H,7-10,21H2,1-2H3,(H,22,23,25);2*1H
InChIKeyNIFTUCCDPDJZCI-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.62
Rot. Bonds3

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

1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120643636) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120643636
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(N)ccc3C)CC2)nc1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-13-3-6-18(22-12-13)23-19(25)15-7-9-24(10-8-15)20(26)17-11-16(21)5-4-14(17)2;;/h3-6,11-12,15H,7-10,21H2,1-2H3,(H,22,23,25);2*1H
InChIKeyNIFTUCCDPDJZCI-UHFFFAOYSA-N
XLogP3.62
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.62
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-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120633299
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87007164
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 120643636) is 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(N)ccc3C)CC2)nc1.Cl.Cl.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is NIFTUCCDPDJZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c1-13-3-6-18(22-12-13)23-19(25)15-7-9-24(10-8-15)20(26)17-11-16(21)5-4-14(17)2;;/h3-6,11-12,15H,7-10,21H2,1-2H3,(H,22,23,25);2*1H.
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120643636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).