methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate

C21H18N2O4 — CID 70701214

IUPACmethyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H18N2O4/c1-26-20(24)19-9-5-8-18(23-19)16-10-12-17(13-11-16)22-21(25)27-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,25)
InChIKeyISINRBPYTMKVOK-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.28
Rot. Bonds5

About methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate

methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate (PubChem CID 70701214) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
PubChem CID70701214
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namemethyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H18N2O4/c1-26-20(24)19-9-5-8-18(23-19)16-10-12-17(13-11-16)22-21(25)27-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,25)
InChIKeyISINRBPYTMKVOK-UHFFFAOYSA-N
XLogP4.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
CID 170494480
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67441922

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate (CID 70701214) is methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)n1.
What is the InChIKey of methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
The InChIKey is ISINRBPYTMKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20(24)19-9-5-8-18(23-19)16-10-12-17(13-11-16)22-21(25)27-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,25).
What are the key properties of methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate?
methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 70701214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).