N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide

C25H26N4O4 — CID 3204807

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C25H26N4O4/c1-33-21-12-6-5-11-20(21)29(18-24(31)27-17-19-9-3-2-4-10-19)25(32)15-14-23(30)28-22-13-7-8-16-26-22/h2-13,16H,14-15,17-18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyVRZIPAOFUGEZJR-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.16
Rot. Bonds10

About N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3204807) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3204807
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C25H26N4O4/c1-33-21-12-6-5-11-20(21)29(18-24(31)27-17-19-9-3-2-4-10-19)25(32)15-14-23(30)28-22-13-7-8-16-26-22/h2-13,16H,14-15,17-18H2,1H3,(H,27,31)(H,26,28,30)
InChIKeyVRZIPAOFUGEZJR-UHFFFAOYSA-N
XLogP3.16
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide (CID 3204807) is N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is COc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is VRZIPAOFUGEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-33-21-12-6-5-11-20(21)29(18-24(31)27-17-19-9-3-2-4-10-19)25(32)15-14-23(30)28-22-13-7-8-16-26-22/h2-13,16H,14-15,17-18H2,1H3,(H,27,31)(H,26,28,30).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 446.51 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylamino)-2-oxoethyl]-N'-(2-methoxyphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).