N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C27H30N4O5 — CID 3204873

IUPACN'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H30N4O5/c1-35-22-10-6-20(7-11-22)17-29-26(33)19-31(18-21-8-12-23(36-2)13-9-21)27(34)15-14-25(32)30-24-5-3-4-16-28-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyKGZSIAAEHZZFFP-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.16
Rot. Bonds12

About N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204873) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204873
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H30N4O5/c1-35-22-10-6-20(7-11-22)17-29-26(33)19-31(18-21-8-12-23(36-2)13-9-21)27(34)15-14-25(32)30-24-5-3-4-16-28-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,29,33)(H,28,30,32)
InChIKeyKGZSIAAEHZZFFP-UHFFFAOYSA-N
XLogP3.16
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine hydrochloride
CID 80139
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CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
[3H]pyrilamine
CID 656400
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
CID 948752

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3204873) is N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is KGZSIAAEHZZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-35-22-10-6-20(7-11-22)17-29-26(33)19-31(18-21-8-12-23(36-2)13-9-21)27(34)15-14-25(32)30-24-5-3-4-16-28-24/h3-13,16H,14-15,17-19H2,1-2H3,(H,29,33)(H,28,30,32).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 490.56 g/mol, XLogP of 3.16, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).