2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide

C11H16ClN3O — CID 79812255

IUPAC2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-4-11(3,13)10(16)15-8-7(2)5-6-14-9(8)12/h5-6H,4,13H2,1-3H3,(H,15,16)
InChIKeyRIGQCZGQZYRBCW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide

2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide (PubChem CID 79812255) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
PubChem CID79812255
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-4-11(3,13)10(16)15-8-7(2)5-6-14-9(8)12/h5-6H,4,13H2,1-3H3,(H,15,16)
InChIKeyRIGQCZGQZYRBCW-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.11
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-ethylbutanamide
CID 79812641
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
CID 79797005
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
2-amino-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79789969
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide (CID 79812255) is 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The InChIKey is RIGQCZGQZYRBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-4-11(3,13)10(16)15-8-7(2)5-6-14-9(8)12/h5-6H,4,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 2.11, 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-4-methyl-3-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 79812255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).