N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide

C20H26N4O2 — CID 109180774

IUPACN-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2N2CCOCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-3-10-21-20(25)18-9-8-16(15-22-18)23-17-6-4-5-7-19(17)24-11-13-26-14-12-24/h4-9,15,23H,2-3,10-14H2,1H3,(H,21,25)
InChIKeyCEXLXPKRHFJYOQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.19
Rot. Bonds7

About N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide

N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide (PubChem CID 109180774) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
PubChem CID109180774
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2N2CCOCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-2-3-10-21-20(25)18-9-8-16(15-22-18)23-17-6-4-5-7-19(17)24-11-13-26-14-12-24/h4-9,15,23H,2-3,10-14H2,1H3,(H,21,25)
InChIKeyCEXLXPKRHFJYOQ-UHFFFAOYSA-N
XLogP3.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(2-morpholin-4-ylanilino)-N-phenylpyridine-2-carboxamide
CID 109197615
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109200634
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619064
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide (CID 109180774) is N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2ccccc2N2CCOCC2)cn1.
What is the InChIKey of N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide?
The InChIKey is CEXLXPKRHFJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-3-10-21-20(25)18-9-8-16(15-22-18)23-17-6-4-5-7-19(17)24-11-13-26-14-12-24/h4-9,15,23H,2-3,10-14H2,1H3,(H,21,25).
What are the key properties of N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide?
N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109180774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).