2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide

C10H14ClN3O — CID 79797005

IUPAC2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-3-10(2,12)9(15)14-7-5-4-6-13-8(7)11/h4-6H,3,12H2,1-2H3,(H,14,15)
InChIKeyFSMCJKJCXYIHSJ-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide

2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide (PubChem CID 79797005) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
PubChem CID79797005
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-3-10(2,12)9(15)14-7-5-4-6-13-8(7)11/h4-6H,3,12H2,1-2H3,(H,14,15)
InChIKeyFSMCJKJCXYIHSJ-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
(2S)-2-amino-3-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106443407
(2R)-2-amino-3-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442603
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide (CID 79797005) is 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cccnc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide?
The InChIKey is FSMCJKJCXYIHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-10(2,12)9(15)14-7-5-4-6-13-8(7)11/h4-6H,3,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide?
2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide has a molecular weight of 227.70 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 79797005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).