N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride

C18H25Cl2N3O — CID 119641823

IUPACN-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cncc(-c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-18(19,4-2)13-21-17(22)16-10-15(11-20-12-16)14-8-6-5-7-9-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,21,22);2*1H
InChIKeyVKQSWZNWLOQDKU-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.84
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119641823) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
PubChem CID119641823
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cncc(-c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-3-18(19,4-2)13-21-17(22)16-10-15(11-20-12-16)14-8-6-5-7-9-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,21,22);2*1H
InChIKeyVKQSWZNWLOQDKU-UHFFFAOYSA-N
XLogP3.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 119644073
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride (CID 119641823) is N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1cncc(-c2ccccc2)c1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is VKQSWZNWLOQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-3-18(19,4-2)13-21-17(22)16-10-15(11-20-12-16)14-8-6-5-7-9-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).