N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide

C19H13BrN4O — CID 109222479

IUPACN-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H13BrN4O/c20-14-5-3-6-15(10-14)24-19(25)18-11-16(8-9-22-18)23-17-7-2-1-4-13(17)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyAXQOTHMBSNGTAN-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide

N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109222479) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
PubChem CID109222479
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C19H13BrN4O/c20-14-5-3-6-15(10-14)24-19(25)18-11-16(8-9-22-18)23-17-7-2-1-4-13(17)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyAXQOTHMBSNGTAN-UHFFFAOYSA-N
XLogP4.71
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222081
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213375

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide (CID 109222479) is N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide is N#Cc1ccccc1Nc1ccnc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is AXQOTHMBSNGTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-14-5-3-6-15(10-14)24-19(25)18-11-16(8-9-22-18)23-17-7-2-1-4-13(17)12-21/h1-11H,(H,22,23)(H,24,25).
What are the key properties of N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide?
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109222479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).