2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide

C14H20BrN3O — CID 77144549

IUPAC2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccc(Br)nc1)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-9(2)13(16)14(19)18(11-4-5-11)8-10-3-6-12(15)17-7-10/h3,6-7,9,11,13H,4-5,8,16H2,1-2H3
InChIKeyUDHGQRYKUWFWSW-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide

2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide (PubChem CID 77144549) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
PubChem CID77144549
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccc(Br)nc1)C1CC1
InChIInChI=1S/C14H20BrN3O/c1-9(2)13(16)14(19)18(11-4-5-11)8-10-3-6-12(15)17-7-10/h3,6-7,9,11,13H,4-5,8,16H2,1-2H3
InChIKeyUDHGQRYKUWFWSW-UHFFFAOYSA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
CID 77144597
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
(2S)-2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 66568596
(2S)-2-amino-N-[(6-bromo-3-pyridinyl)methyl]-3-methylbutanamide
CID 66568601
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide (CID 77144549) is 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide is CC(C)C(N)C(=O)N(Cc1ccc(Br)nc1)C1CC1.
What is the InChIKey of 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide?
The InChIKey is UDHGQRYKUWFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9(2)13(16)14(19)18(11-4-5-11)8-10-3-6-12(15)17-7-10/h3,6-7,9,11,13H,4-5,8,16H2,1-2H3.
What are the key properties of 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide?
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide has a molecular weight of 326.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 77144549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).