N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide

C15H15BrClN3O — CID 103481422

IUPACN-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H15BrClN3O/c1-2-7-19-13-9-18-8-6-10(13)15(21)20-12-5-3-4-11(17)14(12)16/h3-6,8-9,19H,2,7H2,1H3,(H,20,21)
InChIKeyDOKQVOVVTMGWNE-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.57
Rot. Bonds5

About N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide

N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 103481422) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID103481422
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C15H15BrClN3O/c1-2-7-19-13-9-18-8-6-10(13)15(21)20-12-5-3-4-11(17)14(12)16/h3-6,8-9,19H,2,7H2,1H3,(H,20,21)
InChIKeyDOKQVOVVTMGWNE-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-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
N-(2-methoxyphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105067884
N-(2-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 103481392
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 114924258
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
N-(2-propan-2-ylpyrazol-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105067928
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105071358
N-(4-bromo-3-chlorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 107616662
N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107606051

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide (CID 103481422) is N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is DOKQVOVVTMGWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-2-7-19-13-9-18-8-6-10(13)15(21)20-12-5-3-4-11(17)14(12)16/h3-6,8-9,19H,2,7H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide?
N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-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-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 103481422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).