N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide

C15H22BrN3O — CID 79112080

IUPACN-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-9-19(13-6-4-12(17)5-7-13)15(20)14-8-3-11(16)10-18-14/h3,8,10,12-13H,2,4-7,9,17H2,1H3
InChIKeyUVDOIRXHXOMJNK-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.97
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide

N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide (PubChem CID 79112080) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
PubChem CID79112080
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-9-19(13-6-4-12(17)5-7-13)15(20)14-8-3-11(16)10-18-14/h3,8,10,12-13H,2,4-7,9,17H2,1H3
InChIKeyUVDOIRXHXOMJNK-UHFFFAOYSA-N
XLogP2.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide (CID 79112080) is N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide?
The InChIKey is UVDOIRXHXOMJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-9-19(13-6-4-12(17)5-7-13)15(20)14-8-3-11(16)10-18-14/h3,8,10,12-13H,2,4-7,9,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide?
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 79112080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).