2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide

C13H9BrN4O — CID 82704028

IUPAC2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H9BrN4O/c14-10-1-2-11(9(5-10)7-15)18-13(19)8-3-4-17-12(16)6-8/h1-6H,(H2,16,17)(H,18,19)
InChIKeyLAMPPZYJJZSJDT-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.55
Rot. Bonds2

About 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide

2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide (PubChem CID 82704028) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
PubChem CID82704028
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H9BrN4O/c14-10-1-2-11(9(5-10)7-15)18-13(19)8-3-4-17-12(16)6-8/h1-6H,(H2,16,17)(H,18,19)
InChIKeyLAMPPZYJJZSJDT-UHFFFAOYSA-N
XLogP2.55
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide (CID 82704028) is 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide is N#Cc1cc(Br)ccc1NC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is LAMPPZYJJZSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-1-2-11(9(5-10)7-15)18-13(19)8-3-4-17-12(16)6-8/h1-6H,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide?
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 82704028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).