N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide

C18H19N3O2 — CID 86815583

IUPACN-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)[C@H](C#N)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H19N3O2/c1-13(2)17(10-19)21-18(22)15-6-3-7-16(9-15)23-12-14-5-4-8-20-11-14/h3-9,11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyJBFMJMFSBWORSL-KRWDZBQOSA-N
MW309.37 g/mol
LogP2.94
Rot. Bonds6

About N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 86815583) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID86815583
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)[C@H](C#N)NC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H19N3O2/c1-13(2)17(10-19)21-18(22)15-6-3-7-16(9-15)23-12-14-5-4-8-20-11-14/h3-9,11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyJBFMJMFSBWORSL-KRWDZBQOSA-N
XLogP2.94
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319
N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55774349
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099236
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3-(pyridin-3-ylmethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97089751
N-(3-methyl-2-morpholin-4-ylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55775479

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 86815583) is N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide is CC(C)[C@H](C#N)NC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is JBFMJMFSBWORSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)17(10-19)21-18(22)15-6-3-7-16(9-15)23-12-14-5-4-8-20-11-14/h3-9,11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 86815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).