N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

C22H30N4O2 — CID 109229662

IUPACN-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cncc(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)25-21(27)17-14-20(16-23-15-17)24-8-9-26-10-12-28-13-11-26/h4-7,14-16,24H,8-13H2,1-3H3,(H,25,27)
InChIKeyJNHMCYGYGWYTCB-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.38
Rot. Bonds6

About N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (PubChem CID 109229662) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
PubChem CID109229662
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cncc(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)25-21(27)17-14-20(16-23-15-17)24-8-9-26-10-12-28-13-11-26/h4-7,14-16,24H,8-13H2,1-3H3,(H,25,27)
InChIKeyJNHMCYGYGWYTCB-UHFFFAOYSA-N
XLogP3.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229697
5-(2-morpholin-4-ylethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229683
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
5-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223173
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
N-methyl-5-(2-morpholin-4-ylethylamino)-N-phenylpyridine-3-carboxamide
CID 109229643
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide (CID 109229662) is N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cncc(NCCN3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
The InChIKey is JNHMCYGYGWYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-22(2,3)18-4-6-19(7-5-18)25-21(27)17-14-20(16-23-15-17)24-8-9-26-10-12-28-13-11-26/h4-7,14-16,24H,8-13H2,1-3H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).