N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride

C12H22ClN3O — CID 119588537

IUPACN-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccn1C.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-9(2)7-10(8-13)14-12(16)11-5-4-6-15(11)3;/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16);1H
InChIKeyBWTMLBDWUKFYTM-UHFFFAOYSA-N
MW259.78 g/mol
LogP1.55
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119588537) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID119588537
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccn1C.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-9(2)7-10(8-13)14-12(16)11-5-4-6-15(11)3;/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16);1H
InChIKeyBWTMLBDWUKFYTM-UHFFFAOYSA-N
XLogP1.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
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N-heptan-2-yl-1-methylpyrrole-2-carboxamide
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3-hydroxy-2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
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CID 43469589

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride (CID 119588537) is N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccn1C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is BWTMLBDWUKFYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.ClH/c1-9(2)7-10(8-13)14-12(16)11-5-4-6-15(11)3;/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119588537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).