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

C19H23Cl3N4O2 — CID 120643954

IUPAC1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.Cl.Cl
InChIInChI=1S/C19H21ClN4O2.2ClH/c1-12-2-4-15(21)10-16(12)19(26)24-8-6-13(7-9-24)18(25)23-17-5-3-14(20)11-22-17;;/h2-5,10-11,13H,6-9,21H2,1H3,(H,22,23,25);2*1H
InChIKeyJITMUEJCSIRQOM-UHFFFAOYSA-N
MW445.78 g/mol
LogP3.96
Rot. Bonds3

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

1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120643954) has the molecular formula C19H23Cl3N4O2 and a molecular weight of 445.78 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120643954
Molecular FormulaC19H23Cl3N4O2
Molecular Weight445.78 g/mol
Exact Mass444.09
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.Cl.Cl
InChIInChI=1S/C19H21ClN4O2.2ClH/c1-12-2-4-15(21)10-16(12)19(26)24-8-6-13(7-9-24)18(25)23-17-5-3-14(20)11-22-17;;/h2-5,10-11,13H,6-9,21H2,1H3,(H,22,23,25);2*1H
InChIKeyJITMUEJCSIRQOM-UHFFFAOYSA-N
XLogP3.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.78
LogP ≤ 53.96
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-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120633299
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride (CID 120643954) is 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is Cc1ccc(N)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.Cl.Cl.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is JITMUEJCSIRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.2ClH/c1-12-2-4-15(21)10-16(12)19(26)24-8-6-13(7-9-24)18(25)23-17-5-3-14(20)11-22-17;;/h2-5,10-11,13H,6-9,21H2,1H3,(H,22,23,25);2*1H.
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride?
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 445.78 g/mol, XLogP of 3.96, 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-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120643954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).