4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

C25H28N2O3 — CID 14570089

IUPAC4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-18(6-4-7-19-8-5-15-26-17-19)27-25(28)21-11-9-20(10-12-21)22-13-14-23(29-2)24(16-22)30-3/h5,8-18H,4,6-7H2,1-3H3,(H,27,28)/t18-/m1/s1
InChIKeyFBADLTXGBADECK-GOSISDBHSA-N
MW404.51 g/mol
LogP4.91
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (PubChem CID 14570089) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
PubChem CID14570089
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-18(6-4-7-19-8-5-15-26-17-19)27-25(28)21-11-9-20(10-12-21)22-13-14-23(29-2)24(16-22)30-3/h5,8-18H,4,6-7H2,1-3H3,(H,27,28)/t18-/m1/s1
InChIKeyFBADLTXGBADECK-GOSISDBHSA-N
XLogP4.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide (CID 14570089) is 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
The InChIKey is FBADLTXGBADECK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18(6-4-7-19-8-5-15-26-17-19)27-25(28)21-11-9-20(10-12-21)22-13-14-23(29-2)24(16-22)30-3/h5,8-18H,4,6-7H2,1-3H3,(H,27,28)/t18-/m1/s1.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide?
4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide is sourced from PubChem (CID 14570089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).