ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

C16H16FN3O3 — CID 112521296

IUPACethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)Nc2ccccc2F)ccn1
InChIInChI=1S/C16H16FN3O3/c1-2-23-16(22)19-10-12-9-11(7-8-18-12)15(21)20-14-6-4-3-5-13(14)17/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyPZVFOWOAZOLLAP-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.72
Rot. Bonds5

About ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate

ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 112521296) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID112521296
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Nameethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCCOC(=O)NCc1cc(C(=O)Nc2ccccc2F)ccn1
InChIInChI=1S/C16H16FN3O3/c1-2-23-16(22)19-10-12-9-11(7-8-18-12)15(21)20-14-6-4-3-5-13(14)17/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyPZVFOWOAZOLLAP-UHFFFAOYSA-N
XLogP2.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
ethyl N-[[4-(2-pyridin-4-ylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530224
ethyl N-[[4-(diethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112530525
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate (CID 112521296) is ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is CCOC(=O)NCc1cc(C(=O)Nc2ccccc2F)ccn1.
What is the InChIKey of ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is PZVFOWOAZOLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-2-23-16(22)19-10-12-9-11(7-8-18-12)15(21)20-14-6-4-3-5-13(14)17/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate?
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 317.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112521296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).