2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

C11H16ClN3O — CID 65226103

IUPAC2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-7(2)9(5-13)11(16)15-10-4-3-8(12)6-14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyLSVSFOKYNXLVLC-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.90
Rot. Bonds4

About 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (PubChem CID 65226103) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
PubChem CID65226103
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-7(2)9(5-13)11(16)15-10-4-3-8(12)6-14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H,14,15,16)
InChIKeyLSVSFOKYNXLVLC-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
(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
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
CID 119042166
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (CID 65226103) is 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is LSVSFOKYNXLVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)9(5-13)11(16)15-10-4-3-8(12)6-14-10/h3-4,6-7,9H,5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 1.90, 4 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)-3-methylbutanamide is sourced from PubChem (CID 65226103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).