4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide

C16H18BrN3O — CID 109216912

IUPAC4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Nc2ccccc2Br)ccn1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)14-10-11(8-9-18-14)19-13-7-5-4-6-12(13)17/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyBPZCRCOTIDZBGR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.12
Rot. Bonds3

About 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide

4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide (PubChem CID 109216912) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
PubChem CID109216912
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(Nc2ccccc2Br)ccn1
InChIInChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)14-10-11(8-9-18-14)19-13-7-5-4-6-12(13)17/h4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyBPZCRCOTIDZBGR-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109216878
N-(2-bromophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220697
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215
N-(2-bromophenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210613
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
N-tert-butyl-4-(2,3-dihydro-1H-indene-2-carbonylamino)pyridine-2-carboxamide
CID 139347944
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
N-(2-bromophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202038

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide (CID 109216912) is 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(Nc2ccccc2Br)ccn1.
What is the InChIKey of 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide?
The InChIKey is BPZCRCOTIDZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-16(2,3)20-15(21)14-10-11(8-9-18-14)19-13-7-5-4-6-12(13)17/h4-10H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide?
4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-N-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 109216912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).