N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide

C19H24BrN3O — CID 109241057

IUPACN-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C19H24BrN3O/c1-4-8-23(9-5-2)17-10-15(12-21-13-17)19(24)22-16-7-6-14(3)18(20)11-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKeyYWYIWFVOYVVXJL-UHFFFAOYSA-N
MW390.33 g/mol
LogP5.03
Rot. Bonds7

About N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide

N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide (PubChem CID 109241057) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
PubChem CID109241057
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C19H24BrN3O/c1-4-8-23(9-5-2)17-10-15(12-21-13-17)19(24)22-16-7-6-14(3)18(20)11-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKeyYWYIWFVOYVVXJL-UHFFFAOYSA-N
XLogP5.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241075
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
N-(2-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241092
N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241090
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
5-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109241100
N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide (CID 109241057) is N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide is CCCN(CCC)c1cncc(C(=O)Nc2ccc(C)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The InChIKey is YWYIWFVOYVVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-4-8-23(9-5-2)17-10-15(12-21-13-17)19(24)22-16-7-6-14(3)18(20)11-16/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109241057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).