2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C20H23N5O4S — CID 166022557

IUPAC2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2ncccc2C(N)=O)s1
InChIInChI=1S/C20H23N5O4S/c1-11-5-6-14(15-7-8-16(30-15)23-12(2)26)25(10-11)20(29)19(28)24-18-13(17(21)27)4-3-9-22-18/h3-4,7-9,11,14H,5-6,10H2,1-2H3,(H2,21,27)(H,23,26)(H,22,24,28)/t11-,14+/m0/s1
InChIKeyXBGHRMAXWWJCAR-SMDDNHRTSA-N
MW429.50 g/mol
LogP2.14
Rot. Bonds4

About 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 166022557) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID166022557
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2ncccc2C(N)=O)s1
InChIInChI=1S/C20H23N5O4S/c1-11-5-6-14(15-7-8-16(30-15)23-12(2)26)25(10-11)20(29)19(28)24-18-13(17(21)27)4-3-9-22-18/h3-4,7-9,11,14H,5-6,10H2,1-2H3,(H2,21,27)(H,23,26)(H,22,24,28)/t11-,14+/m0/s1
InChIKeyXBGHRMAXWWJCAR-SMDDNHRTSA-N
XLogP2.14
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.14
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

2-[[2-[(2S,5R)-5-methyl-2-[5-(methylcarbamoyl)thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 169004195
5-[[2-[(2S,5R)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750843
2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175909459
2-[[2-[(2S,5R)-2-[4-(methanesulfonamido)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707955
2-[[2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707966
2-[[2-[(2R,5S)-2-(3-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707982
2-[[2-[(2S,5R)-2-[(1S,3S)-3-hydroxycyclohexyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175909430
2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175470811
5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750422
2-ethyl-5-[[2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750286
5-[[2-[(2R,5R)-5-methyl-2-thiophen-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022590
2-[(2S,5R)-2-[5-[(Z)-1-amino-3-iminoprop-1-enyl]thiophen-2-yl]-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033609

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 166022557) is 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CC(=O)Nc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2ncccc2C(N)=O)s1.
What is the InChIKey of 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is XBGHRMAXWWJCAR-SMDDNHRTSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-11-5-6-14(15-7-8-16(30-15)23-12(2)26)25(10-11)20(29)19(28)24-18-13(17(21)27)4-3-9-22-18/h3-4,7-9,11,14H,5-6,10H2,1-2H3,(H2,21,27)(H,23,26)(H,22,24,28)/t11-,14+/m0/s1.
What are the key properties of 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 166022557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).