2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide

C12H18ClN3O — CID 113308872

IUPAC2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-3-12(4-2,8-14)11(17)16-10-6-5-9(13)7-15-10/h5-7H,3-4,8,14H2,1-2H3,(H,15,16,17)
InChIKeySDPJPULIRSCIEB-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds5

About 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide

2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide (PubChem CID 113308872) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
PubChem CID113308872
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-3-12(4-2,8-14)11(17)16-10-6-5-9(13)7-15-10/h5-7H,3-4,8,14H2,1-2H3,(H,15,16,17)
InChIKeySDPJPULIRSCIEB-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
CID 115431978
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
O-ethyl N-(5-chloro-2-pyridinyl)carbamothioate
CID 110182254

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide (CID 113308872) is 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide?
The InChIKey is SDPJPULIRSCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-12(4-2,8-14)11(17)16-10-6-5-9(13)7-15-10/h5-7H,3-4,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide has a molecular weight of 255.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 113308872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).