5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C17H24N4O3 — CID 164750550

IUPAC5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cncc(C(N)=O)c1
InChIInChI=1S/C17H24N4O3/c1-10(2)14-5-4-11(3)9-21(14)17(24)16(23)20-13-6-12(15(18)22)7-19-8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H2,18,22)(H,20,23)/t11-,14+/m1/s1
InChIKeyBFUCNQKMWXBHJA-RISCZKNCSA-N
MW332.40 g/mol
LogP1.40
Rot. Bonds3

About 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164750550) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID164750550
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cncc(C(N)=O)c1
InChIInChI=1S/C17H24N4O3/c1-10(2)14-5-4-11(3)9-21(14)17(24)16(23)20-13-6-12(15(18)22)7-19-8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H2,18,22)(H,20,23)/t11-,14+/m1/s1
InChIKeyBFUCNQKMWXBHJA-RISCZKNCSA-N
XLogP1.40
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.40
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

CID 4487
CID 4487
CID 71919
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CID 71234
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CID 155586901
CID 155586901
CID 202725
CID 202725
CID 91810435
CID 91810435
CID 50991753
CID 50991753
CID 9837340
CID 9837340
CID 11522780
CID 11522780
CID 44516943
CID 44516943
CID 44517274
CID 44517274
CID 168177312
CID 168177312

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164750550) is 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CC(C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cncc(C(N)=O)c1.
What is the InChIKey of 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is BFUCNQKMWXBHJA-RISCZKNCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10(2)14-5-4-11(3)9-21(14)17(24)16(23)20-13-6-12(15(18)22)7-19-8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H2,18,22)(H,20,23)/t11-,14+/m1/s1.
What are the key properties of 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2S,5R)-5-methyl-2-propan-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164750550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).