N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide

C22H25N3O3 — CID 54651644

IUPACN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1)C1CC1
InChIInChI=1S/C22H25N3O3/c26-14-19-21(16-6-2-1-3-7-16)18(13-24-22(28)17-8-9-17)25(19)20(27)11-15-5-4-10-23-12-15/h1-7,10,12,17-19,21,26H,8-9,11,13-14H2,(H,24,28)/t18-,19-,21-/m0/s1
InChIKeyUYENYNXKLCAJOZ-ZJOUEHCJSA-N
MW379.46 g/mol
LogP1.51
Rot. Bonds7

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

N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 54651644) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
PubChem CID54651644
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1)C1CC1
InChIInChI=1S/C22H25N3O3/c26-14-19-21(16-6-2-1-3-7-16)18(13-24-22(28)17-8-9-17)25(19)20(27)11-15-5-4-10-23-12-15/h1-7,10,12,17-19,21,26H,8-9,11,13-14H2,(H,24,28)/t18-,19-,21-/m0/s1
InChIKeyUYENYNXKLCAJOZ-ZJOUEHCJSA-N
XLogP1.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
CID 54651724
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167992062
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651964
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(pyridin-2-ylmethyl)azetidin-2-yl]methyl]cyclobutanecarboxamide
CID 54652366
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
1-cyclopentyl-3-[[(2R,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]urea
CID 54651481
N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide
CID 54652275
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[[(2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]acetamide
CID 54651938

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide (CID 54651644) is N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide is O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1)C1CC1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is UYENYNXKLCAJOZ-ZJOUEHCJSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-14-19-21(16-6-2-1-3-7-16)18(13-24-22(28)17-8-9-17)25(19)20(27)11-15-5-4-10-23-12-15/h1-7,10,12,17-19,21,26H,8-9,11,13-14H2,(H,24,28)/t18-,19-,21-/m0/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 54651644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).