methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate

C20H22N2O4 — CID 86834370

IUPACmethyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccnc(OCc3ccccc3)c2)CCCC1
InChIInChI=1S/C20H22N2O4/c1-25-19(24)20(10-5-6-11-20)22-18(23)16-9-12-21-17(13-16)26-14-15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11,14H2,1H3,(H,22,23)
InChIKeyWFESMMLBICYRIA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds6

About methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 86834370) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID86834370
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccnc(OCc3ccccc3)c2)CCCC1
InChIInChI=1S/C20H22N2O4/c1-25-19(24)20(10-5-6-11-20)22-18(23)16-9-12-21-17(13-16)26-14-15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11,14H2,1H3,(H,22,23)
InChIKeyWFESMMLBICYRIA-UHFFFAOYSA-N
XLogP2.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate (CID 86834370) is methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccnc(OCc3ccccc3)c2)CCCC1.
What is the InChIKey of methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is WFESMMLBICYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-19(24)20(10-5-6-11-20)22-18(23)16-9-12-21-17(13-16)26-14-15-7-3-2-4-8-15/h2-4,7-9,12-13H,5-6,10-11,14H2,1H3,(H,22,23).
What are the key properties of methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 86834370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).