3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide

C11H16ClN3O — CID 115906699

IUPAC3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-8(5-11(16)13-2)14-7-10-4-3-9(12)6-15-10/h3-4,6,8,14H,5,7H2,1-2H3,(H,13,16)
InChIKeyHZFWUWQVZHJEMG-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.35
Rot. Bonds5

About 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide

3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide (PubChem CID 115906699) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
PubChem CID115906699
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)NCc1ccc(Cl)cn1
InChIInChI=1S/C11H16ClN3O/c1-8(5-11(16)13-2)14-7-10-4-3-9(12)6-15-10/h3-4,6,8,14H,5,7H2,1-2H3,(H,13,16)
InChIKeyHZFWUWQVZHJEMG-UHFFFAOYSA-N
XLogP1.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
N-[(5-chloro-2-pyridinyl)methyl]heptan-2-amine
CID 115906670
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
CID 115724465
2-N-[(5-chloro-2-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407636
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
CID 115906693
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide (CID 115906699) is 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide is CNC(=O)CC(C)NCc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide?
The InChIKey is HZFWUWQVZHJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(5-11(16)13-2)14-7-10-4-3-9(12)6-15-10/h3-4,6,8,14H,5,7H2,1-2H3,(H,13,16).
What are the key properties of 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide?
3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide has a molecular weight of 241.72 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide is sourced from PubChem (CID 115906699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).