5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C19H19N7O3 — CID 167033519

IUPAC5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc3[nH]ncc3n2)c1
InChIInChI=1S/C19H19N7O3/c20-17(27)11-7-12(9-21-8-11)23-18(28)19(29)26-6-2-1-3-16(26)14-5-4-13-15(24-14)10-22-25-13/h4-5,7-10,16H,1-3,6H2,(H2,20,27)(H,22,25)(H,23,28)/t16-/m0/s1
InChIKeyQTFSWSYNXUNDSA-INIZCTEOSA-N
MW393.41 g/mol
LogP1.14
Rot. Bonds3

About 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 167033519) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID167033519
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc3[nH]ncc3n2)c1
InChIInChI=1S/C19H19N7O3/c20-17(27)11-7-12(9-21-8-11)23-18(28)19(29)26-6-2-1-3-16(26)14-5-4-13-15(24-14)10-22-25-13/h4-5,7-10,16H,1-3,6H2,(H2,20,27)(H,22,25)(H,23,28)/t16-/m0/s1
InChIKeyQTFSWSYNXUNDSA-INIZCTEOSA-N
XLogP1.14
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.14
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

5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033243
5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033299
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-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[[2-[(2S)-2-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 174003124
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)acetamide
CID 177382923
5-[[2-[(2R,5S)-2-(5-amino-2-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751414
tert-butyl N-[3-methyl-5-[[2-[5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]-2-pyridinyl]carbamate
CID 164753872
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 167033519) is 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc3[nH]ncc3n2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is QTFSWSYNXUNDSA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N7O3/c20-17(27)11-7-12(9-21-8-11)23-18(28)19(29)26-6-2-1-3-16(26)14-5-4-13-15(24-14)10-22-25-13/h4-5,7-10,16H,1-3,6H2,(H2,20,27)(H,22,25)(H,23,28)/t16-/m0/s1.
What are the key properties of 5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.14, 3 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-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).