N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C18H24N4O3 — CID 122137114

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3ccc[nH]c3=O)CC2)oc1C
InChIInChI=1S/C18H24N4O3/c1-12-13(2)25-16(21-12)11-22-8-5-14(6-9-22)10-20-18(24)15-4-3-7-19-17(15)23/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyZDXDXIPQTXPBNU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.62
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 122137114) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID122137114
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3ccc[nH]c3=O)CC2)oc1C
InChIInChI=1S/C18H24N4O3/c1-12-13(2)25-16(21-12)11-22-8-5-14(6-9-22)10-20-18(24)15-4-3-7-19-17(15)23/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyZDXDXIPQTXPBNU-UHFFFAOYSA-N
XLogP1.62
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 122137114) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1nc(CN2CCC(CNC(=O)c3ccc[nH]c3=O)CC2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZDXDXIPQTXPBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-13(2)25-16(21-12)11-22-8-5-14(6-9-22)10-20-18(24)15-4-3-7-19-17(15)23/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 122137114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).