N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide

C20H26N4O2 — CID 46999034

IUPACN-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-4-8-19(25)22-16-9-11-17(12-10-16)23-20(26)15-24(2)14-18-7-5-6-13-21-18/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySVECAPIAUJQNBZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds9

About N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide

N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide (PubChem CID 46999034) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
PubChem CID46999034
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-4-8-19(25)22-16-9-11-17(12-10-16)23-20(26)15-24(2)14-18-7-5-6-13-21-18/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeySVECAPIAUJQNBZ-UHFFFAOYSA-N
XLogP3.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
N-(4-methoxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 17408677
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]benzamide
CID 88587204
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide?
The IUPAC name of N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide (CID 46999034) is N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide?
The canonical SMILES for N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccn2)cc1.
What is the InChIKey of N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide?
The InChIKey is SVECAPIAUJQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-4-8-19(25)22-16-9-11-17(12-10-16)23-20(26)15-24(2)14-18-7-5-6-13-21-18/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide?
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide is sourced from PubChem (CID 46999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).