N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 109203163

IUPACN-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-11(2)10-19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(17)4-6-13/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQQZPOAGRXMJNDK-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide

N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109203163) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109203163
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O/c1-11(2)10-19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(17)4-6-13/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQQZPOAGRXMJNDK-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(2-ethylphenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203139
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide (CID 109203163) is N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide is CC(C)CNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is QQZPOAGRXMJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(2)10-19-14-7-8-18-15(9-14)16(21)20-13-5-3-12(17)4-6-13/h3-9,11H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).