N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride

C21H28ClN3O2 — CID 172619064

IUPACN-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)nc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-2-3-4-7-17-10-11-19(22-16-17)21(25)23-18-8-5-6-9-20(18)24-12-14-26-15-13-24;/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,23,25);1H
InChIKeyIRBUBZLNTJZONJ-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.32
Rot. Bonds7

About N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride

N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride (PubChem CID 172619064) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
PubChem CID172619064
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)nc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-2-3-4-7-17-10-11-19(22-16-17)21(25)23-18-8-5-6-9-20(18)24-12-14-26-15-13-24;/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,23,25);1H
InChIKeyIRBUBZLNTJZONJ-UHFFFAOYSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109180774
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride (CID 172619064) is N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride is CCCCCc1ccc(C(=O)Nc2ccccc2N2CCOCC2)nc1.Cl.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The InChIKey is IRBUBZLNTJZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-2-3-4-7-17-10-11-19(22-16-17)21(25)23-18-8-5-6-9-20(18)24-12-14-26-15-13-24;/h5-6,8-11,16H,2-4,7,12-15H2,1H3,(H,23,25);1H.
What are the key properties of N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 172619064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).