N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

C18H29N3O2 — CID 24952500

IUPACN-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22)
InChIKeyYUXHSFFVUBPHAA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.85
Rot. Bonds6

About N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (PubChem CID 24952500) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
PubChem CID24952500
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22)
InChIKeyYUXHSFFVUBPHAA-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (CID 24952500) is N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is CCc1cnc(NC(=O)C(C)(C)CC)cc1CN1CCOCC1.
What is the InChIKey of N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The InChIKey is YUXHSFFVUBPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22).
What are the key properties of N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide has a molecular weight of 319.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 24952500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).