phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride

C19H17ClN2O3 — CID 110188496

IUPACphenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
SMILESCc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cc2)c[nH+]1.[Cl-]
InChIInChI=1S/C19H16N2O3.ClH/c1-14-7-10-18(13-20-14)23-17-11-8-15(9-12-17)21-19(22)24-16-5-3-2-4-6-16;/h2-13H,1H3,(H,21,22);1H
InChIKeyBGCSIAKELKKRID-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.22
Rot. Bonds4

About phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride

phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride (PubChem CID 110188496) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride.

Molecular Properties

Compound Namephenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
PubChem CID110188496
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namephenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
SMILESCc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cc2)c[nH+]1.[Cl-]
InChIInChI=1S/C19H16N2O3.ClH/c1-14-7-10-18(13-20-14)23-17-11-8-15(9-12-17)21-19(22)24-16-5-3-2-4-6-16;/h2-13H,1H3,(H,21,22);1H
InChIKeyBGCSIAKELKKRID-UHFFFAOYSA-N
XLogP1.22
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
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phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
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(4-methoxyphenyl) N-(4-pyridin-3-yloxyphenyl)carbamate
CID 110188525
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
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phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
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ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
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phenyl N-(4-pentylphenyl)carbamate
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CID 2203829

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride?
The IUPAC name of phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride (CID 110188496) is phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride.
What is the SMILES notation for phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride?
The canonical SMILES for phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride is Cc1ccc(Oc2ccc(NC(=O)Oc3ccccc3)cc2)c[nH+]1.[Cl-].
What is the InChIKey of phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride?
The InChIKey is BGCSIAKELKKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3.ClH/c1-14-7-10-18(13-20-14)23-17-11-8-15(9-12-17)21-19(22)24-16-5-3-2-4-6-16;/h2-13H,1H3,(H,21,22);1H.
What are the key properties of phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride?
phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride has a molecular weight of 356.81 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride is sourced from PubChem (CID 110188496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).