N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride

C17H24Cl2N4O2S — CID 119656288

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-17(2,10-18)11-21(3)16(23)14-13(6-9-24-14)20-15(22)12-4-7-19-8-5-12;;/h4-9H,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyHRUQBAAOYADUMW-UHFFFAOYSA-N
MW419.38 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride

N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119656288) has the molecular formula C17H24Cl2N4O2S and a molecular weight of 419.38 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119656288
Molecular FormulaC17H24Cl2N4O2S
Molecular Weight419.38 g/mol
Exact Mass418.10
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C17H22N4O2S.2ClH/c1-17(2,10-18)11-21(3)16(23)14-13(6-9-24-14)20-15(22)12-4-7-19-8-5-12;;/h4-9H,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyHRUQBAAOYADUMW-UHFFFAOYSA-N
XLogP3.30
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
CID 119654505
N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60542617
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
CID 119652343
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
CID 84515347
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride (CID 119656288) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1sccc1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is HRUQBAAOYADUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.2ClH/c1-17(2,10-18)11-21(3)16(23)14-13(6-9-24-14)20-15(22)12-4-7-19-8-5-12;;/h4-9H,10-11,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 419.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119656288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).