4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide

C27H25N3O2 — CID 18973973

IUPAC4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CCc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C27H25N3O2/c31-26(30-19-25-10-4-5-17-28-25)23-14-11-21(12-15-23)13-16-24-9-6-18-29-27(24)32-20-22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19-20H2,(H,30,31)
InChIKeyMOQRAHDPQXJFAF-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.77
Rot. Bonds9

About 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide

4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 18973973) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID18973973
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CCc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C27H25N3O2/c31-26(30-19-25-10-4-5-17-28-25)23-14-11-21(12-15-23)13-16-24-9-6-18-29-27(24)32-20-22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19-20H2,(H,30,31)
InChIKeyMOQRAHDPQXJFAF-UHFFFAOYSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-amino-3-nitro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]benzamide
CID 60515075
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide (CID 18973973) is 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(CCc2cccnc2OCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MOQRAHDPQXJFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26(30-19-25-10-4-5-17-28-25)23-14-11-21(12-15-23)13-16-24-9-6-18-29-27(24)32-20-22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19-20H2,(H,30,31).
What are the key properties of 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 18973973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).