N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide

C21H30N4O5 — CID 651646

IUPACN'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCC1CCCO1
InChIInChI=1S/C21H30N4O5/c26-19(24-18-7-1-2-10-22-18)8-9-21(28)25(14-17-6-4-12-30-17)15-20(27)23-13-16-5-3-11-29-16/h1-2,7,10,16-17H,3-6,8-9,11-15H2,(H,23,27)(H,22,24,26)
InChIKeyGKHKFASBDWREOJ-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.10
Rot. Bonds10

About N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide

N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 651646) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
PubChem CID651646
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCC1CCCO1
InChIInChI=1S/C21H30N4O5/c26-19(24-18-7-1-2-10-22-18)8-9-21(28)25(14-17-6-4-12-30-17)15-20(27)23-13-16-5-3-11-29-16/h1-2,7,10,16-17H,3-6,8-9,11-15H2,(H,23,27)(H,22,24,26)
InChIKeyGKHKFASBDWREOJ-UHFFFAOYSA-N
XLogP1.10
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide (CID 651646) is N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is GKHKFASBDWREOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c26-19(24-18-7-1-2-10-22-18)8-9-21(28)25(14-17-6-4-12-30-17)15-20(27)23-13-16-5-3-11-29-16/h1-2,7,10,16-17H,3-6,8-9,11-15H2,(H,23,27)(H,22,24,26).
What are the key properties of N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 418.49 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 651646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).