N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide

C17H27N3O2 — CID 53186040

IUPACN-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
SMILESCCCCN(C)C(=O)CCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-3-4-9-19(2)17(21)6-5-15-7-8-18-16(14-15)20-10-12-22-13-11-20/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyDUTASFXULWZUEM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.11
Rot. Bonds7

About N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide

N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide (PubChem CID 53186040) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
PubChem CID53186040
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
SMILESCCCCN(C)C(=O)CCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-3-4-9-19(2)17(21)6-5-15-7-8-18-16(14-15)20-10-12-22-13-11-20/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyDUTASFXULWZUEM-UHFFFAOYSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide (CID 53186040) is N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide is CCCCN(C)C(=O)CCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
The InChIKey is DUTASFXULWZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-4-9-19(2)17(21)6-5-15-7-8-18-16(14-15)20-10-12-22-13-11-20/h7-8,14H,3-6,9-13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide?
N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide is sourced from PubChem (CID 53186040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).