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

C18H23BrN4O — CID 109154506

IUPAC6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C18H23BrN4O/c1-13-11-15(19)6-7-16(13)22-17-8-5-14(12-21-17)18(24)20-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeySFKZJAYJCHKOLT-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.58
Rot. Bonds7

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

6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 109154506) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID109154506
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1Nc1ccc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C18H23BrN4O/c1-13-11-15(19)6-7-16(13)22-17-8-5-14(12-21-17)18(24)20-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeySFKZJAYJCHKOLT-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

N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344379
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109154379
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
N-(3-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154345

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 109154506) is 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is Cc1cc(Br)ccc1Nc1ccc(C(=O)NCCCN(C)C)cn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is SFKZJAYJCHKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-13-11-15(19)6-7-16(13)22-17-8-5-14(12-21-17)18(24)20-9-4-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-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 6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 109154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).