N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide

C15H15BrClN3O — CID 107616648

IUPACN-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C15H15BrClN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-11-4-5-12(16)13(17)8-11/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyXIEPWGKILPXIGO-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.57
Rot. Bonds5

About N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide

N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 107616648) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID107616648
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C15H15BrClN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-11-4-5-12(16)13(17)8-11/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyXIEPWGKILPXIGO-UHFFFAOYSA-N
XLogP4.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107531151
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide (CID 107616648) is N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is XIEPWGKILPXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-11-4-5-12(16)13(17)8-11/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 368.66 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107616648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).