N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide

C32H34N2O4 — CID 118558068

IUPACN-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CCCC2C=CN(Cc3ccccc3)C=C2C(C)=O)c2ccccc2)cc1OC
InChIInChI=1S/C32H34N2O4/c1-24(35)29-23-33(22-25-11-6-4-7-12-25)20-18-26(29)13-10-19-34(28-14-8-5-9-15-28)32(36)27-16-17-30(37-2)31(21-27)38-3/h4-9,11-12,14-18,20-21,23,26H,10,13,19,22H2,1-3H3
InChIKeyJIZFZGDRPFCTBL-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.25
Rot. Bonds11

About N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide

N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide (PubChem CID 118558068) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide
PubChem CID118558068
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC NameN-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(CCCC2C=CN(Cc3ccccc3)C=C2C(C)=O)c2ccccc2)cc1OC
InChIInChI=1S/C32H34N2O4/c1-24(35)29-23-33(22-25-11-6-4-7-12-25)20-18-26(29)13-10-19-34(28-14-8-5-9-15-28)32(36)27-16-17-30(37-2)31(21-27)38-3/h4-9,11-12,14-18,20-21,23,26H,10,13,19,22H2,1-3H3
InChIKeyJIZFZGDRPFCTBL-UHFFFAOYSA-N
XLogP6.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide?
The IUPAC name of N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide (CID 118558068) is N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide?
The canonical SMILES for N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide is COc1ccc(C(=O)N(CCCC2C=CN(Cc3ccccc3)C=C2C(C)=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide?
The InChIKey is JIZFZGDRPFCTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-24(35)29-23-33(22-25-11-6-4-7-12-25)20-18-26(29)13-10-19-34(28-14-8-5-9-15-28)32(36)27-16-17-30(37-2)31(21-27)38-3/h4-9,11-12,14-18,20-21,23,26H,10,13,19,22H2,1-3H3.
What are the key properties of N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide?
N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide has a molecular weight of 510.63 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetyl-1-benzyl-4H-pyridin-4-yl)propyl]-3,4-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 118558068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).