N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C22H29N3O3 — CID 26126330

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)17-6-8-18(9-7-17)28-14-11-24-21(26)19-5-4-10-23-20(19)25-12-15-27-16-13-25/h4-10H,11-16H2,1-3H3,(H,24,26)
InChIKeyVXASVDVOUUQNIW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 26126330) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID26126330
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)17-6-8-18(9-7-17)28-14-11-24-21(26)19-5-4-10-23-20(19)25-12-15-27-16-13-25/h4-10H,11-16H2,1-3H3,(H,24,26)
InChIKeyVXASVDVOUUQNIW-UHFFFAOYSA-N
XLogP3.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
3-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119350991
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-(4-tert-butylphenoxy)ethyl]pyridine-3-carboxamide
CID 9490188
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51082187
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 94170870
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 26126330) is N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is CC(C)(C)c1ccc(OCCNC(=O)c2cccnc2N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is VXASVDVOUUQNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)17-6-8-18(9-7-17)28-14-11-24-21(26)19-5-4-10-23-20(19)25-12-15-27-16-13-25/h4-10H,11-16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 26126330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).