methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate

C16H18N4O4 — CID 60559915

IUPACmethyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2(c3noc(C)n3)CCCC2)nc1
InChIInChI=1S/C16H18N4O4/c1-10-18-15(20-24-10)16(7-3-4-8-16)19-13(21)12-6-5-11(9-17-12)14(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyKHZMHNMHWZFAJA-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 60559915) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
PubChem CID60559915
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2(c3noc(C)n3)CCCC2)nc1
InChIInChI=1S/C16H18N4O4/c1-10-18-15(20-24-10)16(7-3-4-8-16)19-13(21)12-6-5-11(9-17-12)14(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyKHZMHNMHWZFAJA-UHFFFAOYSA-N
XLogP1.76
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate with MolForge

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrazine-2-carboxamide
CID 47142312
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]pyrazine-2-carboxamide
CID 33357885
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 146085075
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55537901
5-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
CID 51076156
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55583560

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate (CID 60559915) is methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NC2(c3noc(C)n3)CCCC2)nc1.
What is the InChIKey of methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is KHZMHNMHWZFAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-18-15(20-24-10)16(7-3-4-8-16)19-13(21)12-6-5-11(9-17-12)14(22)23-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 60559915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).