N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

C17H21BrN4O — CID 109185609

IUPACN-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCCN(C)C)cn2)ccc1Br
InChIInChI=1S/C17H21BrN4O/c1-12-10-13(4-6-15(12)18)21-17(23)16-7-5-14(11-20-16)19-8-9-22(2)3/h4-7,10-11,19H,8-9H2,1-3H3,(H,21,23)
InChIKeyRFIGNEQPYZLAIT-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.38
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide

N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (PubChem CID 109185609) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
PubChem CID109185609
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NCCN(C)C)cn2)ccc1Br
InChIInChI=1S/C17H21BrN4O/c1-12-10-13(4-6-15(12)18)21-17(23)16-7-5-14(11-20-16)19-8-9-22(2)3/h4-7,10-11,19H,8-9H2,1-3H3,(H,21,23)
InChIKeyRFIGNEQPYZLAIT-UHFFFAOYSA-N
XLogP3.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
5-N-(4-bromo-3-methylphenyl)pyridine-2,5-dicarboxamide
CID 47460528

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide (CID 109185609) is N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(NCCN(C)C)cn2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
The InChIKey is RFIGNEQPYZLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-12-10-13(4-6-15(12)18)21-17(23)16-7-5-14(11-20-16)19-8-9-22(2)3/h4-7,10-11,19H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide?
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109185609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).