2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C17H20N6O3 — CID 175909459

IUPAC2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@H]1CC[C@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1
InChIInChI=1S/C17H20N6O3/c1-10-4-5-13(12-6-8-20-22-12)23(9-10)17(26)16(25)21-15-11(14(18)24)3-2-7-19-15/h2-3,6-8,10,13H,4-5,9H2,1H3,(H2,18,24)(H,20,22)(H,19,21,25)/t10-,13+/m0/s1
InChIKeyPKKCUPODRMQASJ-GXFFZTMASA-N
MW356.39 g/mol
LogP0.84
Rot. Bonds3

About 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 175909459) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID175909459
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@H]1CC[C@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1
InChIInChI=1S/C17H20N6O3/c1-10-4-5-13(12-6-8-20-22-12)23(9-10)17(26)16(25)21-15-11(14(18)24)3-2-7-19-15/h2-3,6-8,10,13H,4-5,9H2,1H3,(H2,18,24)(H,20,22)(H,19,21,25)/t10-,13+/m0/s1
InChIKeyPKKCUPODRMQASJ-GXFFZTMASA-N
XLogP0.84
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2R,5S)-2-(3-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707982
2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022557
2-[[2-[(2S,5R)-2-[4-(methanesulfonamido)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707955
2-[[2-[(2S,5R)-5-methyl-2-[5-(methylcarbamoyl)thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 169004195
2-[[2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707966
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 169113862
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
2-methoxy-5-[[2-[5-methyl-2-[1-(1H-pyrazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752519
2-ethyl-5-[[2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750286
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-5-methyl-2-quinolin-6-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114683
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 175909459) is 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@H]1CC[C@H](c2ccn[nH]2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is PKKCUPODRMQASJ-GXFFZTMASA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-4-5-13(12-6-8-20-22-12)23(9-10)17(26)16(25)21-15-11(14(18)24)3-2-7-19-15/h2-3,6-8,10,13H,4-5,9H2,1H3,(H2,18,24)(H,20,22)(H,19,21,25)/t10-,13+/m0/s1.
What are the key properties of 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175909459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).