2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide

C18H20BrN3O2 — CID 109090011

IUPAC2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-10-22(2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-5-6-14(19)12-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyMKSPEUWAJUFZGO-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.97
Rot. Bonds6

About 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide

2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109090011) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109090011
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H20BrN3O2/c1-3-4-10-22(2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-5-6-14(19)12-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyMKSPEUWAJUFZGO-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
2-N-(2-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090010
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109090032
4-N-butyl-2-N-(4-tert-butylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089968
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide (CID 109090011) is 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide is CCCCN(C)C(=O)c1ccnc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is MKSPEUWAJUFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-3-4-10-22(2)18(24)13-8-9-20-16(11-13)17(23)21-15-7-5-6-14(19)12-15/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide?
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).