N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride

C16H28Cl2N4O2 — CID 119654497

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccnc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-16(2,11-17)12-19(3)15(21)13-5-4-6-18-14(13)20-7-9-22-10-8-20;;/h4-6H,7-12,17H2,1-3H3;2*1H
InChIKeyCFWPBPPTQZHLMG-UHFFFAOYSA-N
MW379.33 g/mol
LogP1.82
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119654497) has the molecular formula C16H28Cl2N4O2 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119654497
Molecular FormulaC16H28Cl2N4O2
Molecular Weight379.33 g/mol
Exact Mass378.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccnc1N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-16(2,11-17)12-19(3)15(21)13-5-4-6-18-14(13)20-7-9-22-10-8-20;;/h4-6H,7-12,17H2,1-3H3;2*1H
InChIKeyCFWPBPPTQZHLMG-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
3-[methyl-(2-piperidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119362402
N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 119653810
N-(3-aminobutyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119496984
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(aminomethyl)cyclopentyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119602673
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 119654497) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1cccnc1N1CCOCC1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is CFWPBPPTQZHLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.2ClH/c1-16(2,11-17)12-19(3)15(21)13-5-4-6-18-14(13)20-7-9-22-10-8-20;;/h4-6H,7-12,17H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119654497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).