N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide

C24H29N3O2 — CID 54651302

IUPACN-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1Cc1cccnc1
InChIInChI=1S/C24H29N3O2/c1-17(29)26-14-22-24(21-10-8-20(9-11-21)19-6-2-3-7-19)23(16-28)27(22)15-18-5-4-12-25-13-18/h4-6,8-13,22-24,28H,2-3,7,14-16H2,1H3,(H,26,29)/t22-,23+,24-/m0/s1
InChIKeyUTZGYQUFVFLGRA-VXNXHJTFSA-N
MW391.52 g/mol
LogP3.11
Rot. Bonds7

About N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide

N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide (PubChem CID 54651302) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide
PubChem CID54651302
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1Cc1cccnc1
InChIInChI=1S/C24H29N3O2/c1-17(29)26-14-22-24(21-10-8-20(9-11-21)19-6-2-3-7-19)23(16-28)27(22)15-18-5-4-12-25-13-18/h4-6,8-13,22-24,28H,2-3,7,14-16H2,1H3,(H,26,29)/t22-,23+,24-/m0/s1
InChIKeyUTZGYQUFVFLGRA-VXNXHJTFSA-N
XLogP3.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747794
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 24761259
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-propyl-3-[4-(2-pyridin-2-ylethynyl)phenyl]azetidine-1-carboxamide
CID 137637648
(S)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747793
(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-N-propyl-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
CID 54650522
(8R,9R,10R)-10-(hydroxymethyl)-N-phenyl-9-[4-(2-pyridin-3-ylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 54668408
(8R,9R,10S)-10-(hydroxymethyl)-N-phenyl-9-[4-(2-pyridin-3-ylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 54668409
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-propyl-3-(4-pyridin-4-ylphenyl)azetidine-1-carboxamide
CID 137631863
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-propyl-3-[4-(2-pyridin-3-ylethynyl)phenyl]azetidine-1-carboxamide
CID 137643572
(R)-N-[[4,5-Dihydro-3-[4-(4-pyridinyl)phenyl]-5-isoxazolyl]methyl]acetamide
CID 11087723
(2R,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
CID 54650061
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-propyl-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
CID 54650519

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide (CID 54651302) is N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1Cc1cccnc1.
What is the InChIKey of N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is UTZGYQUFVFLGRA-VXNXHJTFSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(29)26-14-22-24(21-10-8-20(9-11-21)19-6-2-3-7-19)23(16-28)27(22)15-18-5-4-12-25-13-18/h4-6,8-13,22-24,28H,2-3,7,14-16H2,1H3,(H,26,29)/t22-,23+,24-/m0/s1.
What are the key properties of N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide?
N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S)-3-[4-(cyclopenten-1-yl)phenyl]-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 54651302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).