2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide

C13H20ClN3O — CID 115432614

IUPAC2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-13(5-2,8-15)12(18)17-10-9(3)6-7-16-11(10)14/h6-7H,4-5,8,15H2,1-3H3,(H,17,18)
InChIKeyDSYLKZJFPPLADS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.75
Rot. Bonds5

About 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide

2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide (PubChem CID 115432614) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
PubChem CID115432614
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-13(5-2,8-15)12(18)17-10-9(3)6-7-16-11(10)14/h6-7H,4-5,8,15H2,1-3H3,(H,17,18)
InChIKeyDSYLKZJFPPLADS-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.75
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-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide
CID 115432577
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide (CID 115432614) is 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
The InChIKey is DSYLKZJFPPLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-13(5-2,8-15)12(18)17-10-9(3)6-7-16-11(10)14/h6-7H,4-5,8,15H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 115432614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).