2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide

C13H21ClN4O — CID 79653209

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1cccnc1Cl)CC(C)(C)CN
InChIInChI=1S/C13H21ClN4O/c1-13(2,8-15)9-18(3)7-11(19)17-10-5-4-6-16-12(10)14/h4-6H,7-9,15H2,1-3H3,(H,17,19)
InChIKeyDUJIVADONSQHHN-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.59
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 79653209) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID79653209
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESCN(CC(=O)Nc1cccnc1Cl)CC(C)(C)CN
InChIInChI=1S/C13H21ClN4O/c1-13(2,8-15)9-18(3)7-11(19)17-10-5-4-6-16-12(10)14/h4-6H,7-9,15H2,1-3H3,(H,17,19)
InChIKeyDUJIVADONSQHHN-UHFFFAOYSA-N
XLogP1.59
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
2-[(2-bromophenyl)methyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8554679
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8675847
2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8676287
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide (CID 79653209) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide is CN(CC(=O)Nc1cccnc1Cl)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is DUJIVADONSQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-13(2,8-15)9-18(3)7-11(19)17-10-5-4-6-16-12(10)14/h4-6H,7-9,15H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 284.79 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 79653209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).