4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C25H27N3O2 — CID 30853061

IUPAC4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O2/c29-25(21-9-11-24(12-10-21)30-19-20-6-5-13-26-16-20)27-17-22-7-1-2-8-23(22)18-28-14-3-4-15-28/h1-2,5-13,16H,3-4,14-15,17-19H2,(H,27,29)
InChIKeyRFHIMTROFJSZCD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.19
Rot. Bonds8

About 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 30853061) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID30853061
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C25H27N3O2/c29-25(21-9-11-24(12-10-21)30-19-20-6-5-13-26-16-20)27-17-22-7-1-2-8-23(22)18-28-14-3-4-15-28/h1-2,5-13,16H,3-4,14-15,17-19H2,(H,27,29)
InChIKeyRFHIMTROFJSZCD-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 30853061) is 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCC1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is RFHIMTROFJSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-25(21-9-11-24(12-10-21)30-19-20-6-5-13-26-16-20)27-17-22-7-1-2-8-23(22)18-28-14-3-4-15-28/h1-2,5-13,16H,3-4,14-15,17-19H2,(H,27,29).
What are the key properties of 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30853061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).