N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide

C20H25N3O2 — CID 124613865

IUPACN,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCNC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-14-9-17(20(24)23(3)18-6-8-22-12-18)10-15(2)19(14)25-13-16-5-4-7-21-11-16/h4-5,7,9-11,18,22H,6,8,12-13H2,1-3H3/t18-/m1/s1
InChIKeyNDQRZVDWQLXYHV-GOSISDBHSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds5

About N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 124613865) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID124613865
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCNC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-14-9-17(20(24)23(3)18-6-8-22-12-18)10-15(2)19(14)25-13-16-5-4-7-21-11-16/h4-5,7,9-11,18,22H,6,8,12-13H2,1-3H3/t18-/m1/s1
InChIKeyNDQRZVDWQLXYHV-GOSISDBHSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 124613865) is N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1cc(C(=O)N(C)[C@@H]2CCNC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is NDQRZVDWQLXYHV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-9-17(20(24)23(3)18-6-8-22-12-18)10-15(2)19(14)25-13-16-5-4-7-21-11-16/h4-5,7,9-11,18,22H,6,8,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide?
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).