[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid

C23H21N5O4 — CID 174238981

IUPAC[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid
SMILESCC(c1ccc(Oc2cnc(C#N)nc2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cn1
InChIInChI=1S/C23H21N5O4/c1-14(15-2-4-17(5-3-15)31-20-12-26-22(10-24)27-13-20)21-7-6-18(11-25-21)32-19-8-16(9-19)28-23(29)30/h2-7,11-14,16,19,28H,8-9H2,1H3,(H,29,30)
InChIKeyDBEDBFCQJPQRHC-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.86
Rot. Bonds7

About [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid

[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid (PubChem CID 174238981) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid
PubChem CID174238981
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid
SMILESCC(c1ccc(Oc2cnc(C#N)nc2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cn1
InChIInChI=1S/C23H21N5O4/c1-14(15-2-4-17(5-3-15)31-20-12-26-22(10-24)27-13-20)21-7-6-18(11-25-21)32-19-8-16(9-19)28-23(29)30/h2-7,11-14,16,19,28H,8-9H2,1H3,(H,29,30)
InChIKeyDBEDBFCQJPQRHC-UHFFFAOYSA-N
XLogP3.86
TPSA130.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[3-[[6-[(1R)-1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamate
CID 175849379
5-[4-[(1R)-1-(4-cyclobutyloxyphenyl)ethyl]phenoxy]pyrimidine-2-carbonitrile
CID 175849306
[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
CID 174238917
[3-[4-[2-[4-[(6-bromo-3-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238808
[3-[4-[2-[4-(4-cyanopyrimidin-2-yl)oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238856
[3-[4-[2-[4-[(2-cyanopyrimidin-4-yl)methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239020
[3-(4-fluorophenoxy)cyclobutyl]carbamic acid
CID 166790359
[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174238883
[3-[4-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239001
(3R,4S)-N-[3-[(6-methyl-3-pyridinyl)oxy]cyclobutyl]-4-phenylpyrrolidine-3-carboxamide
CID 156839155
[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid
CID 87415605
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
CID 67478740

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid (CID 174238981) is [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid is CC(c1ccc(Oc2cnc(C#N)nc2)cc1)c1ccc(OC2CC(NC(=O)O)C2)cn1.
What is the InChIKey of [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid?
The InChIKey is DBEDBFCQJPQRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-14(15-2-4-17(5-3-15)31-20-12-26-22(10-24)27-13-20)21-7-6-18(11-25-21)32-19-8-16(9-19)28-23(29)30/h2-7,11-14,16,19,28H,8-9H2,1H3,(H,29,30).
What are the key properties of [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid?
[3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid has a molecular weight of 431.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-[1-[4-(2-cyanopyrimidin-5-yl)oxyphenyl]ethyl]-3-pyridinyl]oxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 174238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).