N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride

C12H22ClN3O — CID 119608616

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]ccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-8(2)12(4,7-13)15-11(16)10-5-6-14-9(10)3;/h5-6,8,14H,7,13H2,1-4H3,(H,15,16);1H
InChIKeyGOLJWGNTQTTYQW-UHFFFAOYSA-N
MW259.78 g/mol
LogP1.85
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 119608616) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID119608616
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1[nH]ccc1C(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-8(2)12(4,7-13)15-11(16)10-5-6-14-9(10)3;/h5-6,8,14H,7,13H2,1-4H3,(H,15,16);1H
InChIKeyGOLJWGNTQTTYQW-UHFFFAOYSA-N
XLogP1.85
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
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CID 119606869
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119606629
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
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N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 119608616) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride is Cc1[nH]ccc1C(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is GOLJWGNTQTTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.ClH/c1-8(2)12(4,7-13)15-11(16)10-5-6-14-9(10)3;/h5-6,8,14H,7,13H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119608616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).