benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate

C18H16FN3O3 — CID 58796860

IUPACbenzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O3/c1-12(20-18(24)25-11-13-5-3-2-4-6-13)15-9-17(23)22-10-14(19)7-8-16(22)21-15/h2-10,12H,11H2,1H3,(H,20,24)
InChIKeyLAJRUFZBNFIJKC-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.82
Rot. Bonds4

About benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate

benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate (PubChem CID 58796860) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
PubChem CID58796860
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Namebenzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C18H16FN3O3/c1-12(20-18(24)25-11-13-5-3-2-4-6-13)15-9-17(23)22-10-14(19)7-8-16(22)21-15/h2-10,12H,11H2,1H3,(H,20,24)
InChIKeyLAJRUFZBNFIJKC-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102036194
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2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
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(4-fluorophenyl) (2R,3S)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
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benzyl N-[(R)-(4-fluorophenyl)-indol-1-ylmethyl]carbamate
CID 134963239

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate (CID 58796860) is benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate?
The InChIKey is LAJRUFZBNFIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-12(20-18(24)25-11-13-5-3-2-4-6-13)15-9-17(23)22-10-14(19)7-8-16(22)21-15/h2-10,12H,11H2,1H3,(H,20,24).
What are the key properties of benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate?
benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate has a molecular weight of 341.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 58796860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).