6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C17H21BrN4O — CID 109153921

IUPAC6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN(C)C)cn2)cc1Br
InChIInChI=1S/C17H21BrN4O/c1-12-4-6-14(10-15(12)18)21-16-7-5-13(11-20-16)17(23)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyXJNKDLBSYPARCE-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.19
Rot. Bonds6

About 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 109153921) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID109153921
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCN(C)C)cn2)cc1Br
InChIInChI=1S/C17H21BrN4O/c1-12-4-6-14(10-15(12)18)21-16-7-5-13(11-20-16)17(23)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyXJNKDLBSYPARCE-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940
ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 109153921) is 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCN(C)C)cn2)cc1Br.
What is the InChIKey of 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is XJNKDLBSYPARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-12-4-6-14(10-15(12)18)21-16-7-5-13(11-20-16)17(23)19-8-9-22(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109153921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).