methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate

C18H18N2O4 — CID 119051586

IUPACmethyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C18H18N2O4/c1-23-17(22)18(8-9-18)16(21)20-14-7-10-19-15(11-14)24-12-13-5-3-2-4-6-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20,21)
InChIKeyNBOBOOMGOSVGKZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.55
Rot. Bonds6

About methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate

methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 119051586) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID119051586
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C18H18N2O4/c1-23-17(22)18(8-9-18)16(21)20-14-7-10-19-15(11-14)24-12-13-5-3-2-4-6-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20,21)
InChIKeyNBOBOOMGOSVGKZ-UHFFFAOYSA-N
XLogP2.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 86834370
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
(2S)-N,N-dimethyl-2-[(2-phenylmethoxy-4-pyridinyl)carbamoylamino]propanamide
CID 122159596
methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
CID 59712337
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-phenylmethoxy-4-pyridinyl)urea
CID 122159595
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
CID 59712482
7-fluoro-N-(2-phenylmethoxy-4-pyridinyl)quinoxaline-5-carboxamide
CID 166179906
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate (CID 119051586) is methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)Nc2ccnc(OCc3ccccc3)c2)CC1.
What is the InChIKey of methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is NBOBOOMGOSVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-17(22)18(8-9-18)16(21)20-14-7-10-19-15(11-14)24-12-13-5-3-2-4-6-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20,21).
What are the key properties of methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate?
methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 119051586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).