N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide

C22H24N4O3 — CID 134431069

IUPACN-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1OC1CC(C(=O)NC2CN(c3cc(C#N)ccn3)C2)C1
InChIInChI=1S/C22H24N4O3/c1-14-3-4-19(28-2)20(7-14)29-18-9-16(10-18)22(27)25-17-12-26(13-17)21-8-15(11-23)5-6-24-21/h3-8,16-18H,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyHXNINMKNBVPDMV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.43
Rot. Bonds6

About N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide

N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide (PubChem CID 134431069) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
PubChem CID134431069
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1OC1CC(C(=O)NC2CN(c3cc(C#N)ccn3)C2)C1
InChIInChI=1S/C22H24N4O3/c1-14-3-4-19(28-2)20(7-14)29-18-9-16(10-18)22(27)25-17-12-26(13-17)21-8-15(11-23)5-6-24-21/h3-8,16-18H,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyHXNINMKNBVPDMV-UHFFFAOYSA-N
XLogP2.43
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide (CID 134431069) is N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide is COc1ccc(C)cc1OC1CC(C(=O)NC2CN(c3cc(C#N)ccn3)C2)C1.
What is the InChIKey of N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
The InChIKey is HXNINMKNBVPDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-3-4-19(28-2)20(7-14)29-18-9-16(10-18)22(27)25-17-12-26(13-17)21-8-15(11-23)5-6-24-21/h3-8,16-18H,9-10,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide?
N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(2-methoxy-5-methylphenoxy)cyclobutane-1-carboxamide is sourced from PubChem (CID 134431069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).