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

C18H23BrN4O — CID 109207857

IUPAC4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c(Br)c1
InChIInChI=1S/C18H23BrN4O/c1-13-5-6-16(15(19)11-13)22-14-7-9-20-17(12-14)18(24)21-8-4-10-23(2)3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyRSPZWIOIAXEUNT-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.58
Rot. Bonds7

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

4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109207857) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109207857
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c(Br)c1
InChIInChI=1S/C18H23BrN4O/c1-13-5-6-16(15(19)11-13)22-14-7-9-20-17(12-14)18(24)21-8-4-10-23(2)3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyRSPZWIOIAXEUNT-UHFFFAOYSA-N
XLogP3.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206175
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165
4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207821
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
2-(2-bromo-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312167

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109207857) is 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NCCCN(C)C)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is RSPZWIOIAXEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-13-5-6-16(15(19)11-13)22-14-7-9-20-17(12-14)18(24)21-8-4-10-23(2)3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).