methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate

C14H19N3O4 — CID 112520355

IUPACmethyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)NCC2CCCO2)ccn1
InChIInChI=1S/C14H19N3O4/c1-20-14(19)17-8-11-7-10(4-5-15-11)13(18)16-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyAVMOEBQOAIQGJA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.85
Rot. Bonds5

About methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate

methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate (PubChem CID 112520355) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
PubChem CID112520355
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)NCC2CCCO2)ccn1
InChIInChI=1S/C14H19N3O4/c1-20-14(19)17-8-11-7-10(4-5-15-11)13(18)16-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyAVMOEBQOAIQGJA-UHFFFAOYSA-N
XLogP0.85
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
2-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62237538
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109081800
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate (CID 112520355) is methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)NCC2CCCO2)ccn1.
What is the InChIKey of methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is AVMOEBQOAIQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-14(19)17-8-11-7-10(4-5-15-11)13(18)16-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate?
methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 293.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112520355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).