N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide

C23H29N3O2 — CID 54652275

IUPACN-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1cccnc1
InChIInChI=1S/C23H29N3O2/c27-16-21-22(18-9-2-1-3-10-18)20(26(21)15-17-7-4-5-8-17)14-25-23(28)19-11-6-12-24-13-19/h1-3,6,9-13,17,20-22,27H,4-5,7-8,14-16H2,(H,25,28)/t20-,21+,22+/m1/s1
InChIKeyBUTOOXDHWZTZNV-FSSWDIPSSA-N
MW379.50 g/mol
LogP2.83
Rot. Bonds7

About N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide

N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 54652275) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide
PubChem CID54652275
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1cccnc1
InChIInChI=1S/C23H29N3O2/c27-16-21-22(18-9-2-1-3-10-18)20(26(21)15-17-7-4-5-8-17)14-25-23(28)19-11-6-12-24-13-19/h1-3,6,9-13,17,20-22,27H,4-5,7-8,14-16H2,(H,25,28)/t20-,21+,22+/m1/s1
InChIKeyBUTOOXDHWZTZNV-FSSWDIPSSA-N
XLogP2.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(1S,2aS,8bS)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-pyridin-3-ylmethanone
CID 54653808
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651644
N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 72904671
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-carboxamide
CID 47156864
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide (CID 54652275) is N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)c1cccnc1.
What is the InChIKey of N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is BUTOOXDHWZTZNV-FSSWDIPSSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-16-21-22(18-9-2-1-3-10-18)20(26(21)15-17-7-4-5-8-17)14-25-23(28)19-11-6-12-24-13-19/h1-3,6,9-13,17,20-22,27H,4-5,7-8,14-16H2,(H,25,28)/t20-,21+,22+/m1/s1.
What are the key properties of N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide?
N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4R)-1-(cyclopentylmethyl)-4-(hydroxymethyl)-3-phenylazetidin-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 54652275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).