N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide

C18H20BrN3O2 — CID 119474511

IUPACN-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1
InChIInChI=1S/C18H20BrN3O2/c19-13-2-8-16(9-3-13)24-17-10-1-12(11-21-17)18(23)22-15-6-4-14(20)5-7-15/h1-3,8-11,14-15H,4-7,20H2,(H,22,23)
InChIKeyGDNIHCNJRAKYTK-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.64
Rot. Bonds4

About N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide

N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide (PubChem CID 119474511) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
PubChem CID119474511
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1
InChIInChI=1S/C18H20BrN3O2/c19-13-2-8-16(9-3-13)24-17-10-1-12(11-21-17)18(23)22-15-6-4-14(20)5-7-15/h1-3,8-11,14-15H,4-7,20H2,(H,22,23)
InChIKeyGDNIHCNJRAKYTK-UHFFFAOYSA-N
XLogP3.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
2-[[6-[6-[4-[(4-bromobenzoyl)amino]cyclohexyl]oxynaphthalen-2-yl]oxypyridine-3-carbonyl]amino]benzoic acid
CID 20602725
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 55786845
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 100623073
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120065
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide (CID 119474511) is N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide is NC1CCC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The InChIKey is GDNIHCNJRAKYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-13-2-8-16(9-3-13)24-17-10-1-12(11-21-17)18(23)22-15-6-4-14(20)5-7-15/h1-3,8-11,14-15H,4-7,20H2,(H,22,23).
What are the key properties of N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119474511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).