2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide

C12H18BrN3O — CID 77144544

IUPAC2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(Cc1ccnc(Br)c1)C(C)C
InChIInChI=1S/C12H18BrN3O/c1-8(2)16(12(17)9(3)14)7-10-4-5-15-11(13)6-10/h4-6,8-9H,7,14H2,1-3H3
InChIKeyZUOLQSICFCBCFJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide

2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide (PubChem CID 77144544) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide
PubChem CID77144544
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide
SMILESCC(N)C(=O)N(Cc1ccnc(Br)c1)C(C)C
InChIInChI=1S/C12H18BrN3O/c1-8(2)16(12(17)9(3)14)7-10-4-5-15-11(13)6-10/h4-6,8-9H,7,14H2,1-3H3
InChIKeyZUOLQSICFCBCFJ-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.93
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-[(2-bromo-4-pyridinyl)methyl]-N-methylpropanamide
CID 77144543
(2S)-2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 66568596
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
(2S)-2-amino-N-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]propanamide
CID 99704294
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
2-bromo-4-(bromomethyl)pyridine;hydrochloride
CID 66569513
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide (CID 77144544) is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide is CC(N)C(=O)N(Cc1ccnc(Br)c1)C(C)C.
What is the InChIKey of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is ZUOLQSICFCBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)16(12(17)9(3)14)7-10-4-5-15-11(13)6-10/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide?
2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 77144544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).