N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide

C21H20BrN3O — CID 23632633

IUPACN-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O/c1-14(2)15-5-9-17(10-6-15)24-20-19(4-3-13-23-20)21(26)25-18-11-7-16(22)8-12-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVHJZDPRSNUVIQZ-UHFFFAOYSA-N
MW410.32 g/mol
LogP5.96
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 23632633) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID23632633
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC NameN-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H20BrN3O/c1-14(2)15-5-9-17(10-6-15)24-20-19(4-3-13-23-20)21(26)25-18-11-7-16(22)8-12-18/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVHJZDPRSNUVIQZ-UHFFFAOYSA-N
XLogP5.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-(4-bromoanilino)-N-prop-2-ynylpyridine-3-carboxamide
CID 118126274
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
CID 133301482
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 23632633) is N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is VHJZDPRSNUVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-14(2)15-5-9-17(10-6-15)24-20-19(4-3-13-23-20)21(26)25-18-11-7-16(22)8-12-18/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).