N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide

C28H31N3O2 — CID 123659712

IUPACN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
SMILESCC(NC(=O)Cc1cccnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C28H31N3O2/c1-20(30-28(32)15-22-3-2-14-29-16-22)23-6-8-24(9-7-23)25-17-31(18-25)26-10-12-27(13-11-26)33-19-21-4-5-21/h2-3,6-14,16,20-21,25H,4-5,15,17-19H2,1H3,(H,30,32)
InChIKeyPWUBQZQDPHBURW-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.89
Rot. Bonds9

About N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide

N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide (PubChem CID 123659712) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
PubChem CID123659712
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
SMILESCC(NC(=O)Cc1cccnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C28H31N3O2/c1-20(30-28(32)15-22-3-2-14-29-16-22)23-6-8-24(9-7-23)25-17-31(18-25)26-10-12-27(13-11-26)33-19-21-4-5-21/h2-3,6-14,16,20-21,25H,4-5,15,17-19H2,1H3,(H,30,32)
InChIKeyPWUBQZQDPHBURW-UHFFFAOYSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 123749694
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123211751
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide
CID 123577661
N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71620886
3-[(1S)-1-[4-[4-[4-(cyclopropylmethoxy)phenyl]piperidin-1-yl]phenyl]ethyl]-1,1-dimethylurea
CID 71616117
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
1-[4-(cyclopropylmethoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]-2-(1H-pyrrol-3-yl)acetamide
CID 144603263
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide (CID 123659712) is N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide is CC(NC(=O)Cc1cccnc1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is PWUBQZQDPHBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20(30-28(32)15-22-3-2-14-29-16-22)23-6-8-24(9-7-23)25-17-31(18-25)26-10-12-27(13-11-26)33-19-21-4-5-21/h2-3,6-14,16,20-21,25H,4-5,15,17-19H2,1H3,(H,30,32).
What are the key properties of N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide?
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 441.58 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 123659712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).