1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C19H21N5O4S — CID 55971344

IUPAC1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C19H21N5O4S/c1-29-14-5-6-16(24(27)28)15(9-14)19(26)22-13-4-7-17(21-10-13)23-8-2-3-12(11-23)18(20)25/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,20,25)(H,22,26)
InChIKeyPAJQWTPCHAAFJJ-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.67
Rot. Bonds6

About 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971344) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55971344
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C19H21N5O4S/c1-29-14-5-6-16(24(27)28)15(9-14)19(26)22-13-4-7-17(21-10-13)23-8-2-3-12(11-23)18(20)25/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,20,25)(H,22,26)
InChIKeyPAJQWTPCHAAFJJ-UHFFFAOYSA-N
XLogP2.67
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55700846
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
1-(3-acetyl-4-nitrophenyl)piperidine-3-carboxamide
CID 104613470
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971344) is 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1.
What is the InChIKey of 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PAJQWTPCHAAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-29-14-5-6-16(24(27)28)15(9-14)19(26)22-13-4-7-17(21-10-13)23-8-2-3-12(11-23)18(20)25/h4-7,9-10,12H,2-3,8,11H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).