2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide

C18H16BrN3O — CID 156907273

IUPAC2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N)ncc1Br)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN3O/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)22-18(23)15-9-17(20)21-10-16(15)19/h2-11H,1H3,(H2,20,21)(H,22,23)/t11-/m1/s1
InChIKeyMYUZBSXIMQQGFI-LLVKDONJSA-N
MW370.25 g/mol
LogP4.07
Rot. Bonds3

About 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide

2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide (PubChem CID 156907273) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide
PubChem CID156907273
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N)ncc1Br)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN3O/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)22-18(23)15-9-17(20)21-10-16(15)19/h2-11H,1H3,(H2,20,21)(H,22,23)/t11-/m1/s1
InChIKeyMYUZBSXIMQQGFI-LLVKDONJSA-N
XLogP4.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide (CID 156907273) is 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide is C[C@@H](NC(=O)c1cc(N)ncc1Br)c1cccc2ccccc12.
What is the InChIKey of 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide?
The InChIKey is MYUZBSXIMQQGFI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)22-18(23)15-9-17(20)21-10-16(15)19/h2-11H,1H3,(H2,20,21)(H,22,23)/t11-/m1/s1.
What are the key properties of 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide?
2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 156907273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).