5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C19H21N5O5S — CID 167033299

IUPAC5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C19H21N5O5S/c20-17(25)13-8-14(11-22-10-13)23-18(26)19(27)24-7-2-1-6-16(24)12-4-3-5-15(9-12)30(21,28)29/h3-5,8-11,16H,1-2,6-7H2,(H2,20,25)(H,23,26)(H2,21,28,29)/t16-/m0/s1
InChIKeyKKGWQZOMCDTCEY-INIZCTEOSA-N
MW431.47 g/mol
LogP0.52
Rot. Bonds4

About 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 167033299) has the molecular formula C19H21N5O5S and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID167033299
Molecular FormulaC19H21N5O5S
Molecular Weight431.47 g/mol
Exact Mass431.13
IUPAC Name5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C19H21N5O5S/c20-17(25)13-8-14(11-22-10-13)23-18(26)19(27)24-7-2-1-6-16(24)12-4-3-5-15(9-12)30(21,28)29/h3-5,8-11,16H,1-2,6-7H2,(H2,20,25)(H,23,26)(H2,21,28,29)/t16-/m0/s1
InChIKeyKKGWQZOMCDTCEY-INIZCTEOSA-N
XLogP0.52
TPSA165.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649
5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033243
5-[[2-[2-(3-chloro-5-fluorophenyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033060
5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033170
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033519
5-[[2-[(2S,5R)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753284
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[[2-[(2S,5R)-5-fluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752106
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751109
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 167033299) is 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is KKGWQZOMCDTCEY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O5S/c20-17(25)13-8-14(11-22-10-13)23-18(26)19(27)24-7-2-1-6-16(24)12-4-3-5-15(9-12)30(21,28)29/h3-5,8-11,16H,1-2,6-7H2,(H2,20,25)(H,23,26)(H2,21,28,29)/t16-/m0/s1.
What are the key properties of 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).