N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine

C22H29N3O2 — CID 121286629

IUPACN-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCCC)cn3)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-12-26-20-10-11-22(23-13-20)25-14-21(15-25)27-19-8-6-18(7-9-19)17(4)24-16(2)3/h6-11,13,17,21,24H,2,5,12,14-15H2,1,3-4H3/t17-/m0/s1
InChIKeyVYOIHUHXINFGJJ-KRWDZBQOSA-N
MW367.49 g/mol
LogP4.32
Rot. Bonds9

About N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine

N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine (PubChem CID 121286629) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
PubChem CID121286629
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
SMILESC=C(C)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCCC)cn3)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-12-26-20-10-11-22(23-13-20)25-14-21(15-25)27-19-8-6-18(7-9-19)17(4)24-16(2)3/h6-11,13,17,21,24H,2,5,12,14-15H2,1,3-4H3/t17-/m0/s1
InChIKeyVYOIHUHXINFGJJ-KRWDZBQOSA-N
XLogP4.32
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
N-[(1S)-1-[4-[1-[5-(2-cyclopropylethoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668612
N-[(1S)-1-[4-[1-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668610
N-[(1S)-1-[4-[1-[5-(2-methylpropoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668589
N-[1-[4-[1-(2-chloro-4-propoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123536154
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[(1S)-1-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 163549545
ethyl 2-[3-[4-(1-acetamidoethyl)phenoxy]azetidin-1-yl]pyrimidine-5-carboxylate
CID 123136125
N-[1-[4-[1-(2-cyano-6-propoxy-3-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123514893
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329
1-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-methylurea
CID 91668860
N-[(1S)-1-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
CID 90315502

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine?
The IUPAC name of N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine (CID 121286629) is N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine is C=C(C)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCCC)cn3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine?
The InChIKey is VYOIHUHXINFGJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-12-26-20-10-11-22(23-13-20)25-14-21(15-25)27-19-8-6-18(7-9-19)17(4)24-16(2)3/h6-11,13,17,21,24H,2,5,12,14-15H2,1,3-4H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine?
N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine has a molecular weight of 367.49 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 121286629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).