1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H24N4O2 — CID 120643645

IUPAC1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(N)ccc3C)C2)nc1
InChIInChI=1S/C20H24N4O2/c1-13-5-8-18(22-11-13)23-19(25)15-4-3-9-24(12-15)20(26)17-10-16(21)7-6-14(17)2/h5-8,10-11,15H,3-4,9,12,21H2,1-2H3,(H,22,23,25)
InChIKeyBBPFYZYSGCEKTN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds3

About 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 120643645) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID120643645
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(N)ccc3C)C2)nc1
InChIInChI=1S/C20H24N4O2/c1-13-5-8-18(22-11-13)23-19(25)15-4-3-9-24(12-15)20(26)17-10-16(21)7-6-14(17)2/h5-8,10-11,15H,3-4,9,12,21H2,1-2H3,(H,22,23,25)
InChIKeyBBPFYZYSGCEKTN-UHFFFAOYSA-N
XLogP2.77
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
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
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
1-(3-methoxythiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 126774157
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 120643645) is 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3cc(N)ccc3C)C2)nc1.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BBPFYZYSGCEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-5-8-18(22-11-13)23-19(25)15-4-3-9-24(12-15)20(26)17-10-16(21)7-6-14(17)2/h5-8,10-11,15H,3-4,9,12,21H2,1-2H3,(H,22,23,25).
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.77, 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-3-carboxamide is sourced from PubChem (CID 120643645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).