N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide

C19H24BrN3O — CID 113232541

IUPACN-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24BrN3O/c1-4-10-21-18-17(11-16(20)12-22-18)19(24)23(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,21,22)
InChIKeyLCLYNHUHHQLTAJ-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.72
Rot. Bonds7

About N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide

N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 113232541) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
PubChem CID113232541
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC NameN-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H24BrN3O/c1-4-10-21-18-17(11-16(20)12-22-18)19(24)23(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,21,22)
InChIKeyLCLYNHUHHQLTAJ-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 62177656
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63499508
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422
5-bromo-N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62172279
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide (CID 113232541) is N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is LCLYNHUHHQLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-4-10-21-18-17(11-16(20)12-22-18)19(24)23(14(2)3)13-15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,21,22).
What are the key properties of N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide?
N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 113232541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).