2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide

C13H13BrN4O — CID 114194887

IUPAC2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1NCc1ccccc1Br
InChIInChI=1S/C13H13BrN4O/c14-10-4-2-1-3-8(10)6-17-11-7-18-12(15)5-9(11)13(16)19/h1-5,7,17H,6H2,(H2,15,18)(H2,16,19)
InChIKeyDZHXGLOGRKKJJM-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide

2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 114194887) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
PubChem CID114194887
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1NCc1ccccc1Br
InChIInChI=1S/C13H13BrN4O/c14-10-4-2-1-3-8(10)6-17-11-7-18-12(15)5-9(11)13(16)19/h1-5,7,17H,6H2,(H2,15,18)(H2,16,19)
InChIKeyDZHXGLOGRKKJJM-UHFFFAOYSA-N
XLogP2.14
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
CID 114195561
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
CID 114261361
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747394
2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
CID 116795732
2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
ethyl 2-amino-3-[(2-bromophenyl)methylamino]benzoate
CID 115545042
2-amino-5-benzylsulfanylpyridine-4-carboxamide
CID 114195736

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide (CID 114194887) is 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide is NC(=O)c1cc(N)ncc1NCc1ccccc1Br.
What is the InChIKey of 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is DZHXGLOGRKKJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c14-10-4-2-1-3-8(10)6-17-11-7-18-12(15)5-9(11)13(16)19/h1-5,7,17H,6H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide?
2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114194887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).