ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate

C25H34N4O5 — CID 69002748

IUPACditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate
SMILESCN(C(=O)N(c1ccccn1)c1ccccn1)C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H34N4O5/c1-24(2,3)33-21(30)15-14-18(22(31)34-25(4,5)6)28(7)23(32)29(19-12-8-10-16-26-19)20-13-9-11-17-27-20/h8-13,16-18H,14-15H2,1-7H3
InChIKeyCCOSPHODTUOHIO-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.50
Rot. Bonds7

About ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate

ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate (PubChem CID 69002748) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate.

Molecular Properties

Compound Nameditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate
PubChem CID69002748
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Nameditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate
SMILESCN(C(=O)N(c1ccccn1)c1ccccn1)C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H34N4O5/c1-24(2,3)33-21(30)15-14-18(22(31)34-25(4,5)6)28(7)23(32)29(19-12-8-10-16-26-19)20-13-9-11-17-27-20/h8-13,16-18H,14-15H2,1-7H3
InChIKeyCCOSPHODTUOHIO-UHFFFAOYSA-N
XLogP4.50
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
CID 174448604
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
[2-amino-1-[methyl(pyridin-2-yl)amino]ethyl] 2,2,2-trifluoroacetate
CID 66813130
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 172915965
tert-butyl 3-amino-4-hydroxy-5-pyridin-2-yloxypentanoate
CID 174656656
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
ditert-butyl (2S)-2-[(6-phenylpyridine-3-carbonyl)amino]pentanedioate
CID 174543173
tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate?
The IUPAC name of ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate (CID 69002748) is ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate.
What is the SMILES notation for ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate?
The canonical SMILES for ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate is CN(C(=O)N(c1ccccn1)c1ccccn1)C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate?
The InChIKey is CCOSPHODTUOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-24(2,3)33-21(30)15-14-18(22(31)34-25(4,5)6)28(7)23(32)29(19-12-8-10-16-26-19)20-13-9-11-17-27-20/h8-13,16-18H,14-15H2,1-7H3.
What are the key properties of ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate?
ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate has a molecular weight of 470.57 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-[dipyridin-2-ylcarbamoyl(methyl)amino]pentanedioate is sourced from PubChem (CID 69002748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).