6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide

C24H35N5O3 — CID 123613925

IUPAC6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide
SMILESCNC(=O)CC(C)OC(CC(N)=O)C(C)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H35N5O3/c1-18(22(15-23(25)30)32-19(2)14-24(31)26-3)10-13-29(16-20-8-4-6-11-27-20)17-21-9-5-7-12-28-21/h4-9,11-12,18-19,22H,10,13-17H2,1-3H3,(H2,25,30)(H,26,31)
InChIKeyASXFPMYFOCNPSI-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.29
Rot. Bonds14

About 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide

6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide (PubChem CID 123613925) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide.

Molecular Properties

Compound Name6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide
PubChem CID123613925
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide
SMILESCNC(=O)CC(C)OC(CC(N)=O)C(C)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H35N5O3/c1-18(22(15-23(25)30)32-19(2)14-24(31)26-3)10-13-29(16-20-8-4-6-11-27-20)17-21-9-5-7-12-28-21/h4-9,11-12,18-19,22H,10,13-17H2,1-3H3,(H2,25,30)(H,26,31)
InChIKeyASXFPMYFOCNPSI-UHFFFAOYSA-N
XLogP2.29
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
2-methyl-3-[[2-(methylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82330085
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
methyl 3-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]propaneperoxoate
CID 139496437

Frequently Asked Questions

What is the IUPAC name of 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide?
The IUPAC name of 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide (CID 123613925) is 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide.
What is the SMILES notation for 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide?
The canonical SMILES for 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide is CNC(=O)CC(C)OC(CC(N)=O)C(C)CCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide?
The InChIKey is ASXFPMYFOCNPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18(22(15-23(25)30)32-19(2)14-24(31)26-3)10-13-29(16-20-8-4-6-11-27-20)17-21-9-5-7-12-28-21/h4-9,11-12,18-19,22H,10,13-17H2,1-3H3,(H2,25,30)(H,26,31).
What are the key properties of 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide?
6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide has a molecular weight of 441.58 g/mol, XLogP of 2.29, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(pyridin-2-ylmethyl)amino]-4-methyl-3-[4-(methylamino)-4-oxobutan-2-yl]oxyhexanamide is sourced from PubChem (CID 123613925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).