N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride

C17H25Cl2N5O — CID 119641830

IUPACN-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.Cl
InChIInChI=1S/C17H24ClN5O.ClH/c1-5-17(19,6-2)10-20-16(24)15-13(18)7-8-14(21-15)23-12(4)9-11(3)22-23;/h7-9H,5-6,10,19H2,1-4H3,(H,20,24);1H
InChIKeyUGUFCGKAZNBJKA-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.21
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride (PubChem CID 119641830) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
PubChem CID119641830
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC NameN-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.Cl
InChIInChI=1S/C17H24ClN5O.ClH/c1-5-17(19,6-2)10-20-16(24)15-13(18)7-8-14(21-15)23-12(4)9-11(3)22-23;/h7-9H,5-6,10,19H2,1-4H3,(H,20,24);1H
InChIKeyUGUFCGKAZNBJKA-UHFFFAOYSA-N
XLogP3.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
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CID 78785341
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
(2S)-2-[[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]amino]hexanoic acid
CID 120614853
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
(3,3-dimethyl-2-oxobutyl) 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305470
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55370036

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride (CID 119641830) is N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is UGUFCGKAZNBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O.ClH/c1-5-17(19,6-2)10-20-16(24)15-13(18)7-8-14(21-15)23-12(4)9-11(3)22-23;/h7-9H,5-6,10,19H2,1-4H3,(H,20,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 386.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119641830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).