N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide

C21H26N4O3 — CID 2741372

IUPACN-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-16-2-4-17(5-3-16)21(26)22-18-6-7-19(24-8-12-27-13-9-24)23-20(18)25-10-14-28-15-11-25/h2-7H,8-15H2,1H3,(H,22,26)
InChIKeyBCZOVWQMQJBSST-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.32
Rot. Bonds4

About N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide

N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide (PubChem CID 2741372) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide
PubChem CID2741372
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-16-2-4-17(5-3-16)21(26)22-18-6-7-19(24-8-12-27-13-9-24)23-20(18)25-10-14-28-15-11-25/h2-7H,8-15H2,1H3,(H,22,26)
InChIKeyBCZOVWQMQJBSST-UHFFFAOYSA-N
XLogP2.32
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide (CID 2741372) is N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2N2CCOCC2)cc1.
What is the InChIKey of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide?
The InChIKey is BCZOVWQMQJBSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-2-4-17(5-3-16)21(26)22-18-6-7-19(24-8-12-27-13-9-24)23-20(18)25-10-14-28-15-11-25/h2-7H,8-15H2,1H3,(H,22,26).
What are the key properties of N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide?
N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimorpholin-4-yl-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 2741372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).