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

C15H20N4O3 — CID 167033547

IUPAC2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)C(=O)N2CCC[C@H](C)C2)cc1C(N)=O
InChIInChI=1S/C15H20N4O3/c1-9-4-3-5-19(8-9)15(22)14(21)18-11-6-12(13(16)20)10(2)17-7-11/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,18,21)/t9-/m0/s1
InChIKeyUZPCBPTXRSKAHI-VIFPVBQESA-N
MW304.35 g/mol
LogP0.69
Rot. Bonds2

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

2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 167033547) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID167033547
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)C(=O)N2CCC[C@H](C)C2)cc1C(N)=O
InChIInChI=1S/C15H20N4O3/c1-9-4-3-5-19(8-9)15(22)14(21)18-11-6-12(13(16)20)10(2)17-7-11/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,18,21)/t9-/m0/s1
InChIKeyUZPCBPTXRSKAHI-VIFPVBQESA-N
XLogP0.69
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-3-methoxy-1-methylpiperidin-4-yl]-1,3-benzothiazole;2-methoxy-5-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 169112451
5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164753557
5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167600347
N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
2-ethyl-5-[[2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750286
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;2,2,2-trifluoroethyl 2-[(5-carbamoyl-6-methyl-3-pyridinyl)amino]-2-oxoacetate
CID 165060352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 167033547) is 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is Cc1ncc(NC(=O)C(=O)N2CCC[C@H](C)C2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is UZPCBPTXRSKAHI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9-4-3-5-19(8-9)15(22)14(21)18-11-6-12(13(16)20)10(2)17-7-11/h6-7,9H,3-5,8H2,1-2H3,(H2,16,20)(H,18,21)/t9-/m0/s1.
What are the key properties of 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).